Enhanced Sampling in Molecular Dynamics Using Metadynamics, Replica-Exchange, and Temperature-Acceleration

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Cameron Abrams

2013-12-01

Full Text Available We review a selection of methods for performing enhanced sampling in molecular dynamics simulations. We consider methods based on collective variable biasing and on tempering, and offer both historical and contemporary perspectives. In collective-variable biasing, we first discuss methods stemming from thermodynamic integration that use mean force biasing, including the adaptive biasing force algorithm and temperature acceleration. We then turn to methods that use bias potentials, including umbrella sampling and metadynamics. We next consider parallel tempering and replica-exchange methods. We conclude with a brief presentation of some combination methods.

Broken symmetry in the mean field theory of the ising spin glass: replica way and no replica way

International Nuclear Information System (INIS)

De Dominicis, C.

1983-06-01

We review the type of symmetry breaking involved in the solution discovered by Parisi and in the static derivation of the solution first introduced via dynamics by Sompolinsky. We turn to a formulation of the problem due to Thouless, Anderson and Palmer (TAP) that put a set of equations for the magnetization. A probability law for the magnetization is then built. We consider two cases: (i) a canonical distribution which is shown to give indentical results to the Hamiltonian formulation under a weak and physical assumption and (ii) a white distribution characterized by two matrices and a response. We show what symmetry breaking is necessary to recover Sompolinsky free energy. In section III we supplement replica indices in the Hamiltonian approach by ''time'' indices ans show in particular that the analytic continuation involved in Sompolinsky's equilibrium derivation, is trying to mimick a translational symmetry breaking in ''time'' that incorporates Sompolinsky's ansatz of a long time scale sequence. In section IV we apply the same treatment to the white average approach and show that, replicas can be altogether discorded and replaced by ''time''. Finally, we briefly discuss the attribution of distinct answers for the standard spin glass order parameter depending on the physical situation: equilibrium or non equilibrium associated with canonical or white (non canonical) initial conditions and density matrices

A Probabilistic Framework for Constructing Temporal Relations in Replica Exchange Molecular Trajectories.

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Chattopadhyay, Aditya; Zheng, Min; Waller, Mark Paul; Priyakumar, U Deva

2018-05-23

Knowledge of the structure and dynamics of biomolecules is essential for elucidating the underlying mechanisms of biological processes. Given the stochastic nature of many biological processes, like protein unfolding, it's almost impossible that two independent simulations will generate the exact same sequence of events, which makes direct analysis of simulations difficult. Statistical models like Markov Chains, transition networks etc. help in shedding some light on the mechanistic nature of such processes by predicting long-time dynamics of these systems from short simulations. However, such methods fall short in analyzing trajectories with partial or no temporal information, for example, replica exchange molecular dynamics or Monte Carlo simulations. In this work we propose a probabilistic algorithm, borrowing concepts from graph theory and machine learning, to extract reactive pathways from molecular trajectories in the absence of temporal data. A suitable vector representation was chosen to represent each frame in the macromolecular trajectory (as a series of interaction and conformational energies) and dimensionality reduction was performed using principal component analysis (PCA). The trajectory was then clustered using a density-based clustering algorithm, where each cluster represents a metastable state on the potential energy surface (PES) of the biomolecule under study. A graph was created with these clusters as nodes with the edges learnt using an iterative expectation maximization algorithm. The most reactive path is conceived as the widest path along this graph. We have tested our method on RNA hairpin unfolding trajectory in aqueous urea solution. Our method makes the understanding of the mechanism of unfolding in RNA hairpin molecule more tractable. As this method doesn't rely on temporal data it can be used to analyze trajectories from Monte Carlo sampling techniques and replica exchange molecular dynamics (REMD).

Preserving the Boltzmann ensemble in replica-exchange molecular dynamics.

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Cooke, Ben; Schmidler, Scott C

2008-10-28

We consider the convergence behavior of replica-exchange molecular dynamics (REMD) [Sugita and Okamoto, Chem. Phys. Lett. 314, 141 (1999)] based on properties of the numerical integrators in the underlying isothermal molecular dynamics (MD) simulations. We show that a variety of deterministic algorithms favored by molecular dynamics practitioners for constant-temperature simulation of biomolecules fail either to be measure invariant or irreducible, and are therefore not ergodic. We then show that REMD using these algorithms also fails to be ergodic. As a result, the entire configuration space may not be explored even in an infinitely long simulation, and the simulation may not converge to the desired equilibrium Boltzmann ensemble. Moreover, our analysis shows that for initial configurations with unfavorable energy, it may be impossible for the system to reach a region surrounding the minimum energy configuration. We demonstrate these failures of REMD algorithms for three small systems: a Gaussian distribution (simple harmonic oscillator dynamics), a bimodal mixture of Gaussians distribution, and the alanine dipeptide. Examination of the resulting phase plots and equilibrium configuration densities indicates significant errors in the ensemble generated by REMD simulation. We describe a simple modification to address these failures based on a stochastic hybrid Monte Carlo correction, and prove that this is ergodic.

Meson-exchange Hamiltonian for NN scattering and isobar-nucleus dynamics

International Nuclear Information System (INIS)

Lee, T.S.H.

1983-01-01

We have constructed a meson-exchange Hamiltonian for π, N, Δ and N* for NN scattering up to 2 GeV. The model gives good descriptions of the Arndt phase-shifts up to 1 GeV in both the T = 0 and T = 1 channels. The calculated total cross sections sigma/sup tot/, Δsigma/sub L//sup tot/ and Δsigma/sub T//sup tot/ agree to a large extent with the data in both the magnitudes and the signs. The present calculation gives a sound starting point for future refinements. Among them, a large-scale three-body calculation could be needed to investigate the energy dependence of the effect due to NN interactions in the πNN channel. Until this effect is carefully studied, it is premature to extract information on dibaryon resonances, if they exist, from the data. Our model also gives definite predictions of np scattering. Precise np polarization measurements at higher energy > 0.6 GeV are needed to have a complete test of our model. Finally, the present model Hamiltonian can be used to carry our many-body calculations

New force replica exchange method and protein folding pathways probed by force-clamp technique.

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Kouza, Maksim; Hu, Chin-Kun; Li, Mai Suan

2008-01-28

We have developed a new extended replica exchange method to study thermodynamics of a system in the presence of external force. Our idea is based on the exchange between different force replicas to accelerate the equilibrium process. This new approach was applied to obtain the force-temperature phase diagram and other thermodynamical quantities of the three-domain ubiquitin. Using the C(alpha)-Go model and the Langevin dynamics, we have shown that the refolding pathways of single ubiquitin depend on which terminus is fixed. If the N end is fixed then the folding pathways are different compared to the case when both termini are free, but fixing the C terminal does not change them. Surprisingly, we have found that the anchoring terminal does not affect the pathways of individual secondary structures of three-domain ubiquitin, indicating the important role of the multidomain construction. Therefore, force-clamp experiments, in which one end of a protein is kept fixed, can probe the refolding pathways of a single free-end ubiquitin if one uses either the polyubiquitin or a single domain with the C terminus anchored. However, it is shown that anchoring one end does not affect refolding pathways of the titin domain I27, and the force-clamp spectroscopy is always capable to predict folding sequencing of this protein. We have obtained the reasonable estimate for unfolding barrier of ubiquitin, using the microscopic theory for the dependence of unfolding time on the external force. The linkage between residue Lys48 and the C terminal of ubiquitin is found to have the dramatic effect on the location of the transition state along the end-to-end distance reaction coordinate, but the multidomain construction leaves the transition state almost unchanged. We have found that the maximum force in the force-extension profile from constant velocity force pulling simulations depends on temperature nonlinearly. However, for some narrow temperature interval this dependence becomes

Replica exchange enveloping distribution sampling (RE-EDS): A robust method to estimate multiple free-energy differences from a single simulation.

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Sidler, Dominik; Schwaninger, Arthur; Riniker, Sereina

2016-10-21

In molecular dynamics (MD) simulations, free-energy differences are often calculated using free energy perturbation or thermodynamic integration (TI) methods. However, both techniques are only suited to calculate free-energy differences between two end states. Enveloping distribution sampling (EDS) presents an attractive alternative that allows to calculate multiple free-energy differences in a single simulation. In EDS, a reference state is simulated which "envelopes" the end states. The challenge of this methodology is the determination of optimal reference-state parameters to ensure equal sampling of all end states. Currently, the automatic determination of the reference-state parameters for multiple end states is an unsolved issue that limits the application of the methodology. To resolve this, we have generalised the replica-exchange EDS (RE-EDS) approach, introduced by Lee et al. [J. Chem. Theory Comput. 10, 2738 (2014)] for constant-pH MD simulations. By exchanging configurations between replicas with different reference-state parameters, the complexity of the parameter-choice problem can be substantially reduced. A new robust scheme to estimate the reference-state parameters from a short initial RE-EDS simulation with default parameters was developed, which allowed the calculation of 36 free-energy differences between nine small-molecule inhibitors of phenylethanolamine N-methyltransferase from a single simulation. The resulting free-energy differences were in excellent agreement with values obtained previously by TI and two-state EDS simulations.

Replica Exchange Simulations of the Thermodynamics of Aβ Fibril Growth

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Takeda, Takako; Klimov, Dmitri K.

2009-01-01

Abstract Replica exchange molecular dynamics and an all-atom implicit solvent model are used to probe the thermodynamics of deposition of Alzheimer's Aβ monomers on preformed amyloid fibrils. Consistent with the experiments, two deposition stages have been identified. The docking stage occurs over a wide temperature range, starting with the formation of the first peptide-fibril interactions at 500 K. Docking is completed when a peptide fully adsorbs on the fibril edge at the temperature of 380 K. The docking transition appears to be continuous, and occurs without free energy barriers or intermediates. During docking, incoming Aβ monomer adopts a disordered structure on the fibril edge. The locking stage occurs at the temperature of ≈360 K and is characterized by the rugged free energy landscape. Locking takes place when incoming Aβ peptide forms a parallel β-sheet structure on the fibril edge. Because the β-sheets formed by locked Aβ peptides are typically off-registry, the structure of the locked phase differs from the structure of the fibril interior. The study also reports that binding affinities of two distinct fibril edges with respect to incoming Aβ peptides are different. The peptides bound to the concave edge have significantly lower free energy compared to those bound on the convex edge. Comparison with the available experimental data is discussed. PMID:19167295

High temperature series expansions with a multiple-exchange Hamiltonian for the bcc and hcp phases of solid 3He

International Nuclear Information System (INIS)

Roger, M.; Suaudeau, E.; Bernier, M.E.R.

1987-08-01

High temperature series expansions with a multiple-exchange Hamiltonian are performed to fourth order in arbitrary magnetic field for both phases of solid 3 He. The susceptibility series are analysed with Pade approximants and compared with recent experimental results. For the hcp phase we estimate the ferromagnetic ordering temperature from susceptibility series and discuss the influence of four-particle exchange in lowering the transition

Evaluation of unrestrained replica-exchange simulations using dynamic walkers in temperature space for protein structure refinement.

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Mark A Olson

Full Text Available A central problem of computational structural biology is the refinement of modeled protein structures taken from either comparative modeling or knowledge-based methods. Simulations are commonly used to achieve higher resolution of the structures at the all-atom level, yet methodologies that consistently yield accurate results remain elusive. In this work, we provide an assessment of an adaptive temperature-based replica exchange simulation method where the temperature clients dynamically walk in temperature space to enrich their population and exchanges near steep energetic barriers. This approach is compared to earlier work of applying the conventional method of static temperature clients to refine a dataset of conformational decoys. Our results show that, while an adaptive method has many theoretical advantages over a static distribution of client temperatures, only limited improvement was gained from this strategy in excursions of the downhill refinement regime leading to an increase in the fraction of native contacts. To illustrate the sampling differences between the two simulation methods, energy landscapes are presented along with their temperature client profiles.

Perovskite Quantum Dots Modeled Using ab Initio and Replica Exchange Molecular Dynamics

KAUST Repository

Buin, Andrei; Comin, Riccardo; Ip, Alexander H.; Sargent, Edward H.

2015-01-01

© 2015 American Chemical Society. Organometal halide perovskites have recently attracted tremendous attention at both the experimental and theoretical levels. Much of this work has been dedicated to bulk material studies, yet recent experimental work has shown the formation of highly efficient quantum-confined nanocrystals with tunable band edges. Here we investigate perovskite quantum dots from theory, predicting an upper bound of the Bohr radius of 45 Å that agrees well with literature values. When the quantum dots are stoichiometric, they are trap-free and have nearly symmetric contributions to confinement from the valence and conduction bands. We further show that surface-associated conduction bandedge states in perovskite nanocrystals lie below the bulk states, which could explain the difference in Urbach tails between mesoporous and planar perovskite films. In addition to conventional molecular dynamics (MD), we implement an enhanced phase-space sampling algorithm, replica exchange molecular dynamics (REMD). We find that in simulation of methylammonium orientation and global minima, REMD outperforms conventional MD. To the best of our knowledge, this is the first REMD implementation for realistic-sized systems in the realm of DFT calculations.

Perovskite Quantum Dots Modeled Using ab Initio and Replica Exchange Molecular Dynamics

KAUST Repository

Buin, Andrei

2015-06-18

© 2015 American Chemical Society. Organometal halide perovskites have recently attracted tremendous attention at both the experimental and theoretical levels. Much of this work has been dedicated to bulk material studies, yet recent experimental work has shown the formation of highly efficient quantum-confined nanocrystals with tunable band edges. Here we investigate perovskite quantum dots from theory, predicting an upper bound of the Bohr radius of 45 Å that agrees well with literature values. When the quantum dots are stoichiometric, they are trap-free and have nearly symmetric contributions to confinement from the valence and conduction bands. We further show that surface-associated conduction bandedge states in perovskite nanocrystals lie below the bulk states, which could explain the difference in Urbach tails between mesoporous and planar perovskite films. In addition to conventional molecular dynamics (MD), we implement an enhanced phase-space sampling algorithm, replica exchange molecular dynamics (REMD). We find that in simulation of methylammonium orientation and global minima, REMD outperforms conventional MD. To the best of our knowledge, this is the first REMD implementation for realistic-sized systems in the realm of DFT calculations.

Foundations and latest advances in replica exchange transition interface sampling

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Cabriolu, Raffaela; Skjelbred Refsnes, Kristin M.; Bolhuis, Peter G.; van Erp, Titus S.

2017-10-01

Nearly 20 years ago, transition path sampling (TPS) emerged as an alternative method to free energy based approaches for the study of rare events such as nucleation, protein folding, chemical reactions, and phase transitions. TPS effectively performs Monte Carlo simulations with relatively short molecular dynamics trajectories, with the advantage of not having to alter the actual potential energy surface nor the underlying physical dynamics. Although the TPS approach also introduced a methodology to compute reaction rates, this approach was for a long time considered theoretically attractive, providing the exact same results as extensively long molecular dynamics simulations, but still expensive for most relevant applications. With the increase of computer power and improvements in the algorithmic methodology, quantitative path sampling is finding applications in more and more areas of research. In particular, the transition interface sampling (TIS) and the replica exchange TIS (RETIS) algorithms have, in turn, improved the efficiency of quantitative path sampling significantly, while maintaining the exact nature of the approach. Also, open-source software packages are making these methods, for which implementation is not straightforward, now available for a wider group of users. In addition, a blooming development takes place regarding both applications and algorithmic refinements. Therefore, it is timely to explore the wide panorama of the new developments in this field. This is the aim of this article, which focuses on the most efficient exact path sampling approach, RETIS, as well as its recent applications, extensions, and variations.

Validation of the replica trick for simple models

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Shinzato, Takashi

2018-04-01

We discuss the replica analytic continuation using several simple models in order to prove mathematically the validity of the replica analysis, which is used in a wide range of fields related to large-scale complex systems. While replica analysis consists of two analytical techniques—the replica trick (or replica analytic continuation) and the thermodynamical limit (and/or order parameter expansion)—we focus our study on replica analytic continuation, which is the mathematical basis of the replica trick. We apply replica analysis to solve a variety of analytical models, and examine the properties of replica analytic continuation. Based on the positive results for these models we propose that replica analytic continuation is a robust procedure in replica analysis.

Conformational Ensembles of α-Synuclein Derived Peptide with Different Osmolytes from Temperature Replica Exchange Sampling

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Salma Jamal

2017-12-01

Full Text Available Intrinsically disordered proteins (IDP are a class of proteins that do not have a stable three-dimensional structure and can adopt a range of conformations playing various vital functional role. Alpha-synuclein is one such IDP which can aggregate into toxic protofibrils and has been associated largely with Parkinson's disease (PD along with other neurodegenerative diseases. Osmolytes are small organic compounds that can alter the environment around the proteins by acting as denaturants or protectants for the proteins. In the present study, we have conducted a series of replica exchange molecular dynamics simulations to explore the role of osmolytes, urea which is a denaturant and TMAO (trimethylamine N-oxide, a protecting osmolyte, in aggregation and conformations of the synuclein peptide. We observed that both the osmolytes have significantly distinct impacts on the peptide and led to transitions of the conformations of the peptide from one state to other. Our findings highlighted that urea attenuated peptide aggregation and resulted in the formation of extended peptide structures whereas TMAO led to compact and folded forms of the peptide.

Hyper-V Replica essentials

CERN Document Server

Krstevski, Vangel

2013-01-01

a in various deployment scenarios.Hyper-V Replica Essentials is for Windows Server administrators who want to improve their system availability and speed up disaster recovery. You will need experience in Hyper-V deployment because Hyper-V Replica is built in the Hyper-V platform.

Topological phase transition in the two-dimensional anisotropic Heisenberg model: A study using the Replica Exchange Wang-Landau sampling

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Figueiredo, T. P.; Rocha, J. C. S.; Costa, B. V.

2017-12-01

Although the topological Berezinskii-Kosterlitz-Thouless transition was for the first time described by 40 years ago, it is still a matter of discussion. It has been used to explain several experiments in the most diverse physical systems. In contrast with the ordinary continuous phase transitions the BKT-transition does not break any symmetry. However, in some contexts it can easily be confused with other continuous transitions, in general due to an insufficient data analysis. The two-dimensional XY (or sometimes called planar rotator) spin model is the fruit fly model describing the BKT transition. As demonstrated by Bramwell and Holdsworth (1993) the finite-size effects are more important in two-dimensions than in others due to the logarithmic system size dependence of the properties of the system. Closely related is the anisotropic two dimensional Heisenberg model (AH). Although they have the same Hamiltonian the spin variable in the former has only two degrees of freedom while the AH has three. Many works treat the AH model as undergoing a transition in the same universality class as the XY model. However, its characterization as being in the BKT class of universality deserve some investigation. This paper has two goals. First, we describe an analytical evidence showing that the AH model is in the BKT class of universality. Second, we make an extensive simulation, using the numerical Replica Exchange Wang-Landau method that corroborate our analytical calculations. From our simulation we obtain the BKT transition temperature as TBKT = 0 . 6980(10) by monitoring the susceptibility, the two point correlation function and the helicity modulus. We discuss the misuse of the fourth order Binder's cumulant to locate the transition temperature. The specific heat is shown to have a non-critical behavior as expected in the BKT transition. An analysis of the two point correlation function at low temperature, C(r) ∝r - η(T), shows that the exponent, η, is consistent

A replica exchange transition interface sampling method with multiple interface sets for investigating networks of rare events

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Swenson, David W. H.; Bolhuis, Peter G.

2014-07-01

The multiple state transition interface sampling (TIS) framework in principle allows the simulation of a large network of complex rare event transitions, but in practice suffers from convergence problems. To improve convergence, we combine multiple state TIS [J. Rogal and P. G. Bolhuis, J. Chem. Phys. 129, 224107 (2008)] with replica exchange TIS [T. S. van Erp, Phys. Rev. Lett. 98, 268301 (2007)]. In addition, we introduce multiple interface sets, which allow more than one order parameter to be defined for each state. We illustrate the methodology on a model system of multiple independent dimers, each with two states. For reaction networks with up to 64 microstates, we determine the kinetics in the microcanonical ensemble, and discuss the convergence properties of the sampling scheme. For this model, we find that the kinetics depend on the instantaneous composition of the system. We explain this dependence in terms of the system's potential and kinetic energy.

A Validation Study of the Impression Replica Technique.

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Segerström, Sofia; Wiking-Lima de Faria, Johanna; Braian, Michael; Ameri, Arman; Ahlgren, Camilla

2018-04-17

To validate the well-known and often-used impression replica technique for measuring fit between a preparation and a crown in vitro. The validation consisted of three steps. First, a measuring instrument was validated to elucidate its accuracy. Second, a specimen consisting of male and female counterparts was created and validated by the measuring instrument. Calculations were made for the exact values of three gaps between the male and female. Finally, impression replicas were produced of the specimen gaps and sectioned into four pieces. The replicas were then measured with the use of a light microscope. The values received from measuring the specimen were then compared with the values received from the impression replicas, and the technique was thereby validated. The impression replica technique overvalued all measured gaps. Depending on location of the three measuring sites, the difference between the specimen and the impression replicas varied from 47 to 130 μm. The impression replica technique overestimates gaps within the range of 2% to 11%. The validation of the replica technique enables the method to be used as a reference when testing other methods for evaluating fit in dentistry. © 2018 by the American College of Prosthodontists.

Modeling Vocal Fold Intravascular Flow using Synthetic Replicas

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Terry, Aaron D.; Ricks, Matthew T.; Thomson, Scott L.

2017-11-01

Vocal fold vibration that is induced by air flowing from the lungs is believed to decrease blood flow through the vocal folds. This is important due to the critical role of blood flow in maintaining tissue health. However, the precise mechanical relationships between vocal fold vibration and blood perfusion remain understudied. A platform for studying liquid perfusion in a synthetic, life-size, self-oscillating vocal fold replica has recently been developed. The replicas are fabricated using molded silicone with material properties comparable to those of human vocal fold tissues and that include embedded microchannels through which liquid is perfused. The replicas are mounted on an air flow supply tube to initiate flow-induced vibration. A liquid reservoir is attached to the microchannel to cause liquid to perfuse through replica in the anterior-posterior direction. As replica vibration is initiated and amplitude increases, perfusion flow rate decreases. In this presentation, the replica design will be presented, along with data quantifying the relationships between parameters such as replica vibration amplitude, stiffness, microchannel diameter, and perfusion flow rate. This work was supported by Grant NIDCD R01DC005788 from the National Institutes of Health.

Replica Fourier Transform: Properties and applications

International Nuclear Information System (INIS)

Crisanti, A.; De Dominicis, C.

2015-01-01

The Replica Fourier Transform is the generalization of the discrete Fourier Transform to quantities defined on an ultrametric tree. It finds use in conjunction of the replica method used to study thermodynamics properties of disordered systems such as spin glasses. Its definition is presented in a systematic and simple form and its use illustrated with some representative examples. In particular we give a detailed discussion of the diagonalization in the Replica Fourier Space of the Hessian matrix of the Gaussian fluctuations about the mean field saddle point of spin glass theory. The general results are finally discussed for a generic spherical spin glass model, where the Hessian can be computed analytically

Replica consistency in a Data Grid

International Nuclear Information System (INIS)

Domenici, Andrea; Donno, Flavia; Pucciani, Gianni; Stockinger, Heinz; Stockinger, Kurt

2004-01-01

A Data Grid is a wide area computing infrastructure that employs Grid technologies to provide storage capacity and processing power to applications that handle very large quantities of data. Data Grids rely on data replication to achieve better performance and reliability by storing copies of data sets on different Grid nodes. When a data set can be modified by applications, the problem of maintaining consistency among existing copies arises. The consistency problem also concerns metadata, i.e., additional information about application data sets such as indices, directories, or catalogues. This kind of metadata is used both by the applications and by the Grid middleware to manage the data. For instance, the Replica Management Service (the Grid middleware component that controls data replication) uses catalogues to find the replicas of each data set. Such catalogues can also be replicated and their consistency is crucial to the correct operation of the Grid. Therefore, metadata consistency generally poses stricter requirements than data consistency. In this paper we report on the development of a Replica Consistency Service based on the middleware mainly developed by the European Data Grid Project. The paper summarises the main issues in the replica consistency problem, and lays out a high-level architectural design for a Replica Consistency Service. Finally, results from simulations of different consistency models are presented

Development of isothermal-isobaric replica-permutation method for molecular dynamics and Monte Carlo simulations and its application to reveal temperature and pressure dependence of folded, misfolded, and unfolded states of chignolin

Science.gov (United States)

Yamauchi, Masataka; Okumura, Hisashi

2017-11-01

We developed a two-dimensional replica-permutation molecular dynamics method in the isothermal-isobaric ensemble. The replica-permutation method is a better alternative to the replica-exchange method. It was originally developed in the canonical ensemble. This method employs the Suwa-Todo algorithm, instead of the Metropolis algorithm, to perform permutations of temperatures and pressures among more than two replicas so that the rejection ratio can be minimized. We showed that the isothermal-isobaric replica-permutation method performs better sampling efficiency than the isothermal-isobaric replica-exchange method and infinite swapping method. We applied this method to a β-hairpin mini protein, chignolin. In this simulation, we observed not only the folded state but also the misfolded state. We calculated the temperature and pressure dependence of the fractions on the folded, misfolded, and unfolded states. Differences in partial molar enthalpy, internal energy, entropy, partial molar volume, and heat capacity were also determined and agreed well with experimental data. We observed a new phenomenon that misfolded chignolin becomes more stable under high-pressure conditions. We also revealed this mechanism of the stability as follows: TYR2 and TRP9 side chains cover the hydrogen bonds that form a β-hairpin structure. The hydrogen bonds are protected from the water molecules that approach the protein as the pressure increases.

Model many-body Stoner Hamiltonian for binary FeCr alloys

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Nguyen-Manh, D.; Dudarev, S. L.

2009-09-01

We derive a model tight-binding many-body d -electron Stoner Hamiltonian for FeCr binary alloys and investigate the sensitivity of its mean-field solutions to the choice of hopping integrals and the Stoner exchange parameters. By applying the local charge-neutrality condition within a self-consistent treatment we show that the negative enthalpy-of-mixing anomaly characterizing the alloy in the low chromium concentration limit is due entirely to the presence of the on-site exchange Stoner terms and that the occurrence of this anomaly is not specifically related to the choice of hopping integrals describing conventional chemical bonding between atoms in the alloy. The Bain transformation pathway computed, using the proposed model Hamiltonian, for the Fe15Cr alloy configuration is in excellent agreement with ab initio total-energy calculations. Our investigation also shows how the parameters of a tight-binding many-body model Hamiltonian for a magnetic alloy can be derived from the comparison of its mean-field solutions with other, more accurate, mean-field approximations (e.g., density-functional calculations), hence stimulating the development of large-scale computational algorithms for modeling radiation damage effects in magnetic alloys and steels.

Production and transfer of energy and information in Hamiltonian systems.

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Chris G Antonopoulos

Full Text Available We present novel results that relate energy and information transfer with sensitivity to initial conditions in chaotic multi-dimensional Hamiltonian systems. We show the relation among Kolmogorov-Sinai entropy, Lyapunov exponents, and upper bounds for the Mutual Information Rate calculated in the Hamiltonian phase space and on bi-dimensional subspaces. Our main result is that the net amount of transfer from kinetic to potential energy per unit of time is a power-law of the upper bound for the Mutual Information Rate between kinetic and potential energies, and also a power-law of the Kolmogorov-Sinai entropy. Therefore, transfer of energy is related with both transfer and production of information. However, the power-law nature of this relation means that a small increment of energy transferred leads to a relatively much larger increase of the information exchanged. Then, we propose an "experimental" implementation of a 1-dimensional communication channel based on a Hamiltonian system, and calculate the actual rate with which information is exchanged between the first and last particle of the channel. Finally, a relation between our results and important quantities of thermodynamics is presented.

Bayesian ensemble refinement by replica simulations and reweighting

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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.

Derivation of the probability distribution function for the local density of states of a disordered quantum wire via the replica trick and supersymmetry

International Nuclear Information System (INIS)

Bunder, J.E.J.E.; McKenzie, R.H.Ross H.

2001-01-01

We consider the statistical properties of the local density of states of a one-dimensional Dirac equation in the presence of various types of disorder with Gaussian white-noise distribution. It is shown how either the replica trick or supersymmetry can be used to calculate exactly all the moments of the local density of states. Careful attention is paid to how the results change if the local density of states is averaged over atomic length scales. For both the replica trick and supersymmetry the problem is reduced to finding the ground state of a zero-dimensional Hamiltonian which is written solely in terms of a pair of coupled 'spins' which are elements of u(1,1). This ground state is explicitly found for the particular case of the Dirac equation corresponding to an infinite metallic quantum wire with a single conduction channel. The calculated moments of the local density of states agree with those found previously by Al'tshuler and Prigodin [Sov. Phys. JETP 68 (1989) 198] using a technique based on recursion relations for Feynman diagrams

SRF Cavity Surface Topography Characterization Using Replica Techniques

Energy Technology Data Exchange (ETDEWEB)

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.

Neurovascular Modeling: Small-Batch Manufacturing of Silicone Vascular Replicas

Science.gov (United States)

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

Replica Fourier Tansforms on Ultrametric Trees, and Block-Diagonalizing Multi-Replica Matrices

Science.gov (United States)

de Dominicis, C.; Carlucci, D. M.; Temesvári, T.

1997-01-01

The analysis of objects living on ultrametric trees, in particular the block-diagonalization of 4-replica matrices M^{α β;γ^δ}, is shown to be dramatically simplified through the introduction of properly chosen operations on those objects. These are the Replica Fourier Transforms on ultrametric trees. Those transformations are defined and used in the present work. On montre que l'analyse d'objets vivant sur un arbre ultramétrique, en particulier, la diagonalisation par blocs d'une matrice M^{α β;γ^δ} dépendant de 4-répliques, se simplifie de façon dramatique si l'on introduit les opérations appropriées sur ces objets. Ce sont les Transformées de Fourier de Répliques sur un arbre ultramétrique. Ces transformations sont définies et utilisées dans le présent travail.

Replica exchange simulation of reversible folding/unfolding of the Trp-cage miniprotein in explicit solvent: on the structure and possible role of internal water.

Science.gov (United States)

Paschek, Dietmar; Nymeyer, Hugh; García, Angel E

2007-03-01

We simulate the folding/unfolding equilibrium of the 20-residue miniprotein Trp-cage. We use replica exchange molecular dynamics simulations of the AMBER94 atomic detail model of the protein explicitly solvated by water, starting from a completely unfolded configuration. We employ a total of 40 replicas, covering the temperature range between 280 and 538 K. Individual simulation lengths of 100 ns sum up to a total simulation time of about 4 micros. Without any bias, we observe the folding of the protein into the native state with an unfolding-transition temperature of about 440 K. The native state is characterized by a distribution of root mean square distances (RMSD) from the NMR data that peaks at 1.8A, and is as low as 0.4A. We show that equilibration times of about 40 ns are required to yield convergence. A folded configuration in the entire extended ensemble is found to have a lifetime of about 31 ns. In a clamp-like motion, the Trp-cage opens up during thermal denaturation. In line with fluorescence quenching experiments, the Trp-residue sidechain gets hydrated when the protein opens up, roughly doubling the number of water molecules in the first solvation shell. We find the helical propensity of the helical domain of Trp-cage rather well preserved even at very high temperatures. In the folded state, we can identify states with one and two buried internal water molecules interconnecting parts of the Trp-cage molecule by hydrogen bonds. The loss of hydrogen bonds of these buried water molecules in the folded state with increasing temperature is likely to destabilize the folded state at elevated temperatures.

Replica calibration artefacts for optical 3D scanning of micro parts

DEFF Research Database (Denmark)

De Chiffre, Leonardo; Carmignato, S.; Cantatore, Angela

2009-01-01

This work deals with development of calibration artefacts produced by using hard replica materials, achieving high quality geometrical reproduction of suitable reference artefacts, high stability, and high surface cooperativeness. An investigation was carried out using a replica material for dental...... applications to reproduce the geometry of a step artefact, a miniature step gauge, and a curve standard for optical measuring machines. The replica artefacts were calibrated using a tactile coordinate measuring machine and measured on two different optical scanners. Replication quality and applicability...... of the artefacts to verify the accuracy of optical measurements as well as thermal expansion coefficient and stability of the replica artefacts over time were documented....

Application of extraction replicas and analytical electron microscopy to precipitate phase studies

International Nuclear Information System (INIS)

Kenik, E.A.; Maziasz, P.J.

1984-01-01

Extraction replicas provide a powerful extension of AEM techniques for analysis of fine precipitates. In many cases, replicas allow more accurate analyses to be performed and, in some cases, allow unique analyses which cannot be performed in-foil. However, there are limitations to the use of extraction replicas in AEM, of which the analyst must be aware. Many can be eliminated by careful preparation. Often, combined AEM studies of precipitates in-foil and on extraction replicas provide complementary and corroborative information for the fullest analysis of precipitate phases

Contact Hamiltonian mechanics

Energy Technology Data Exchange (ETDEWEB)

Bravetti, Alessandro, E-mail: alessandro.bravetti@iimas.unam.mx [Instituto de Investigaciones en Matemáticas Aplicadas y en Sistemas, Universidad Nacional Autónoma de México, A. P. 70543, México, DF 04510 (Mexico); Cruz, Hans, E-mail: hans@ciencias.unam.mx [Instituto de Ciencias Nucleares, Universidad Nacional Autónoma de México, A. P. 70543, México, DF 04510 (Mexico); Tapias, Diego, E-mail: diego.tapias@nucleares.unam.mx [Facultad de Ciencias, Universidad Nacional Autónoma de México, A.P. 70543, México, DF 04510 (Mexico)

2017-01-15

In this work we introduce contact Hamiltonian mechanics, an extension of symplectic Hamiltonian mechanics, and show that it is a natural candidate for a geometric description of non-dissipative and dissipative systems. For this purpose we review in detail the major features of standard symplectic Hamiltonian dynamics and show that all of them can be generalized to the contact case.

Study of the multiple exchange frequencies in bcc 3He by thermodynamic measurements

International Nuclear Information System (INIS)

Bernier, M.; Suaudeau, E.; Roger, M.

1987-08-01

To study the multiple exchange hamiltonian of solid 3 He we measured the contribution of the spin exchange to the pressure of bcc solid in various magnetic fields (O≤ H≤ 7.5T). Due to the nature of the atomic exchange of a fermion system this contribution is a strong function of the spin polarization. The characteristic frequencies of the exchange hamiltonian are obtained by fitting the pressure measurements with the results of a statistical calculation using a high temperature series expansion of the hamiltonian in a temperature range where both the magnetic effect is significant and the expansion converges (7mK < T < 30mK). We discuss the results obtained for two molar volumes

A partial Hamiltonian approach for current value Hamiltonian systems

Science.gov (United States)

Naz, R.; Mahomed, F. M.; Chaudhry, Azam

2014-10-01

We develop a partial Hamiltonian framework to obtain reductions and closed-form solutions via first integrals of current value Hamiltonian systems of ordinary differential equations (ODEs). The approach is algorithmic and applies to many state and costate variables of the current value Hamiltonian. However, we apply the method to models with one control, one state and one costate variable to illustrate its effectiveness. The current value Hamiltonian systems arise in economic growth theory and other economic models. We explain our approach with the help of a simple illustrative example and then apply it to two widely used economic growth models: the Ramsey model with a constant relative risk aversion (CRRA) utility function and Cobb Douglas technology and a one-sector AK model of endogenous growth are considered. We show that our newly developed systematic approach can be used to deduce results given in the literature and also to find new solutions.

Renormalization of Hamiltonians

International Nuclear Information System (INIS)

Glazek, S.D.; Wilson, K.G.

1993-01-01

This paper presents a new renormalization procedure for Hamiltonians such as those of light-front field theory. The bare Hamiltonian with an arbitrarily large, but finite cutoff, is transformed by a specially chosen similarity transformation. The similarity transformation has two desirable features. First, the transformed Hamiltonian is band diagonal: in particular, all matrix elements vanish which would otherwise have caused transitions with big energy jumps, such as from a state of bounded energy to a state with an energy of the order of the cutoff. At the same time, neither the similarity transformation nor the transformed Hamiltonian, computed in perturbation theory, contain vanishing or near-vanishing energy denominators. Instead, energy differences in denominators can be replaced by energy sums for purposes of order of magnitude estimates needed to determine cutoff dependences. These two properties make it possible to determine relatively easily the list of counterterms needed to obtain finite low energy results (such as for eigenvalues). A simple model Hamiltonian is discussed to illustrate the method

Calculating constants of the rates of the reactions of excitation, ionization, and atomic exchange: A model of a shock oscillator with a change of the Hamiltonian of the system

Science.gov (United States)

Tsyganov, D. L.

2017-11-01

A new model for calculating the rates of reactions of excitation, ionization, and atomic exchange is proposed. Diatomic molecule AB is an unstructured particle M upon the exchange of elastic-vibrational (VT) energy, i.e., a model of a shock forceful oscillator with a change in Hamiltonian (SFOH). The SFOH model is based on the quantum theory of strong perturbations. The SFOH model allows generalization in simulating the rates of the reactions of excitation, ionization, and atomic exchange in the vibrational-vibrational (VV) energy exchange of diatomic molecules, and the exchange of VV- and VT-energy of polyatomic molecules. The rate constants of the excitation of metastables A 3Σ u +, B 3Π g , W 3Δ u , B'3Σ u -, a'3Σ u -, and the ionization of a nitrogen molecules from ground state X2Σ g + upon a collision with a heavy structureless particle (a nitrogen molecule), are found as examples.

Accuracy of three-dimensional printing for manufacturing replica teeth.

Science.gov (United States)

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

2015-09-01

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. 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. 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. This study confirms that FDM and PolyJet technologies are accurate enough to be usable in orthodontic diagnosis and treatment.

A critical inventory of preoperative skull replicas.

Science.gov (United States)

Fasel, J H D; Beinemann, J; Schaller, K; Gailloud, P

2013-09-01

Physical replicas of organs are used increasingly for preoperative planning. The quality of these models is generally accepted by surgeons. In view of the strong trend towards minimally invasive and personalised surgery, however, the aim of this investigation was to assess qualitatively the accuracy of such replicas, using skull models as an example. Skull imaging was acquired for three cadavers by computed tomography using clinical routine parameters. After digital three-dimensional (3D) reconstruction, physical replicas were produced by 3D printing. The facsimilia were analysed systematically and compared with the best gold standard possible: the macerated skull itself. The skull models were far from anatomically accurate. Non-conforming rendering was observed in particular for foramina, sutures, notches, fissures, grooves, channels, tuberosities, thin-walled structures, sharp peaks and crests, and teeth. Surgeons should be aware that preoperative models may not yet render the exact anatomy of the patient under consideration and are advised to continue relying, in specific conditions, on their own analysis of the native computed tomography or magnetic resonance imaging.

Hamiltonian Algorithm Sound Synthesis

OpenAIRE

大矢, 健一

2013-01-01

Hamiltonian Algorithm (HA) is an algorithm for searching solutions is optimization problems. This paper introduces a sound synthesis technique using Hamiltonian Algorithm and shows a simple example. "Hamiltonian Algorithm Sound Synthesis" uses phase transition effect in HA. Because of this transition effect, totally new waveforms are produced.

Entanglement entropy with a time-dependent Hamiltonian

Science.gov (United States)

Sivaramakrishnan, Allic

2018-03-01

The time evolution of entanglement tracks how information propagates in interacting quantum systems. We study entanglement entropy in CFT2 with a time-dependent Hamiltonian. We perturb by operators with time-dependent source functions and use the replica trick to calculate higher-order corrections to entanglement entropy. At first order, we compute the correction due to a metric perturbation in AdS3/CFT2 and find agreement on both sides of the duality. Past first order, we find evidence of a universal structure of entanglement propagation to all orders. The central feature is that interactions entangle unentangled excitations. Entanglement propagates according to "entanglement diagrams," proposed structures that are motivated by accessory spacetime diagrams for real-time perturbation theory. To illustrate the mechanisms involved, we compute higher-order corrections to free fermion entanglement entropy. We identify an unentangled operator, one which does not change the entanglement entropy to any order. Then, we introduce an interaction and find it changes entanglement entropy by entangling the unentangled excitations. The entanglement propagates in line with our conjecture. We compute several entanglement diagrams. We provide tools to simplify the computation of loop entanglement diagrams, which probe UV effects in entanglement propagation in CFT and holography.

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

Science.gov (United States)

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.

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

Science.gov (United States)

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.

Identity of the SU(3) model phenomenological hamiltonian and the hamiltonian of nonaxial rotator

International Nuclear Information System (INIS)

Filippov, G.F.; Avramenko, V.I.; Sokolov, A.M.

1984-01-01

Interpretation of nonspheric atomic nuclei spectra on the basis of phenomenological hamiltonians of SU(3) model showed satisfactory agreement of simulation calculations with experimental data. Meanwhile physical sense of phenomenological hamiltonians was not yet discussed. It is shown that phenomenological hamiltonians of SU(3) model are reduced to hamiltonian of nonaxial rotator but with additional items of the third and fourth powers angular momentum operator of rotator

Data Sets Replicas Placements Strategy from Cost-Effective View in the Cloud

Directory of Open Access Journals (Sweden)

Xiuguo Wu

2016-01-01

Full Text Available Replication technology is commonly used to improve data availability and reduce data access latency in the cloud storage system by providing users with different replicas of the same service. Most current approaches largely focus on system performance improvement, neglecting management cost in deciding replicas number and their store places, which cause great financial burden for cloud users because the cost for replicas storage and consistency maintenance may lead to high overhead with the number of new replicas increased in a pay-as-you-go paradigm. In this paper, towards achieving the approximate minimum data sets management cost benchmark in a practical manner, we propose a replicas placements strategy from cost-effective view with the premise that system performance meets requirements. Firstly, we design data sets management cost models, including storage cost and transfer cost. Secondly, we use the access frequency and the average response time to decide which data set should be replicated. Then, the method of calculating replicas’ number and their store places with minimum management cost is proposed based on location problem graph. Both the theoretical analysis and simulations have shown that the proposed strategy offers the benefits of lower management cost with fewer replicas.

Fabrication of free-standing replicas of fragile, laminar, chitinous biotemplates

Energy Technology Data Exchange (ETDEWEB)

Lakhtakia, Akhlesh; Motyka, Michael A [Materials Research Institute and Department of Engineering Science and Mechanics, Pennsylvania State University, University Park, PA 16802 (United States); MartIn-Palma, Raul J; Pantano, Carlo G [Materials Research Institute and Department of Materials Science and Engineering, Pennsylvania State University, University Park, PA 16802 (United States)], E-mail: akhlesh@psu.edu

2009-09-01

The conformal-evaporated-film-by-rotation technique, followed by the dissolution of chitin in an aqueous solution of orthophosphoric acid, can be used to fabricate free-standing replicas of fragile, laminar, chitinous biotemplates. This novel approach was demonstrated using butterfly wings as biotemplates and GeSeSb chalcogenide glass for replicas. (communication)

Fabrication of free-standing replicas of fragile, laminar, chitinous biotemplates

International Nuclear Information System (INIS)

Lakhtakia, Akhlesh; Motyka, Michael A; MartIn-Palma, Raul J; Pantano, Carlo G

2009-01-01

The conformal-evaporated-film-by-rotation technique, followed by the dissolution of chitin in an aqueous solution of orthophosphoric acid, can be used to fabricate free-standing replicas of fragile, laminar, chitinous biotemplates. This novel approach was demonstrated using butterfly wings as biotemplates and GeSeSb chalcogenide glass for replicas. (communication)

Replica approach to mean-variance portfolio optimization

Science.gov (United States)

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

2016-12-01

We consider the problem of mean-variance portfolio optimization for a generic covariance matrix subject to the budget constraint and the constraint for the expected return, with the application of the replica method borrowed from the statistical physics of disordered systems. We find that the replica symmetry of the solution does not need to be assumed, but emerges as the unique solution of the optimization problem. We also check the stability of this solution and find that the eigenvalues of the Hessian are positive for r  =  N/T  optimal in-sample variance is found to vanish at the critical point inversely proportional to the divergent estimation error.

A port-Hamiltonian approach to image-based visual servo control for dynamic systems

NARCIS (Netherlands)

Mahony, R.; Stramigioli, Stefano

2012-01-01

This paper introduces a port-Hamiltonian framework for the design of image-based visual servo control for dynamic mechanical systems. The approach taken introduces the concept of an image effort and provides an interpretation of energy exchange between the dynamics of the physical system and virtual

Efficient parallel implementations of QM/MM-REMD (quantum mechanical/molecular mechanics-replica-exchange MD) and umbrella sampling: isomerization of H2O2 in aqueous solution.

Science.gov (United States)

Fedorov, Dmitri G; Sugita, Yuji; Choi, Cheol Ho

2013-07-03

An efficient parallel implementation of QM/MM-based replica-exchange molecular dynamics (REMD) as well as umbrella samplings techniques was proposed by adopting the generalized distributed data interface (GDDI). Parallelization speed-up of 40.5 on 48 cores was achieved, making our QM/MM-MD engine a robust tool for studying complex chemical dynamics in solution. They were comparatively used to study the torsional isomerization of hydrogen peroxide in aqueous solution. All results by QM/MM-REMD and QM/MM umbrella sampling techniques yielded nearly identical potentials of mean force (PMFs) regardless of the particular QM theories for solute, showing that the overall dynamics are mainly determined by solvation. Although the entropic penalty of solvent rearrangements exists in cisoid conformers, it was found that both strong intermolecular hydrogen bonding and dipole-dipole interactions preferentially stabilize them in solution, reducing the torsional free-energy barrier at 0° by about 3 kcal/mol as compared to that in gas phase.

Hamiltonian description of the ideal fluid

International Nuclear Information System (INIS)

Morrison, P.J.

1994-01-01

Fluid mechanics is examined from a Hamiltonian perspective. The Hamiltonian point of view provides a unifying framework; by understanding the Hamiltonian perspective, one knows in advance (within bounds) what answers to expect and what kinds of procedures can be performed. The material is organized into five lectures, on the following topics: rudiments of few-degree-of-freedom Hamiltonian systems illustrated by passive advection in two-dimensional fluids; functional differentiation, two action principles of mechanics, and the action principle and canonical Hamiltonian description of the ideal fluid; noncanonical Hamiltonian dynamics with examples; tutorial on Lie groups and algebras, reduction-realization, and Clebsch variables; and stability and Hamiltonian systems

Patrol Detection for Replica Attacks on Wireless Sensor Networks

OpenAIRE

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 d...

Reconstruction of Monte Carlo replicas from Hessian parton distributions

Energy Technology Data Exchange (ETDEWEB)

Hou, Tie-Jiun [Department of Physics, Southern Methodist University,Dallas, TX 75275-0181 (United States); Gao, Jun [INPAC, Shanghai Key Laboratory for Particle Physics and Cosmology,Department of Physics and Astronomy, Shanghai Jiao-Tong University, Shanghai 200240 (China); High Energy Physics Division, Argonne National Laboratory,Argonne, Illinois, 60439 (United States); Huston, Joey [Department of Physics and Astronomy, Michigan State University,East Lansing, MI 48824 (United States); Nadolsky, Pavel [Department of Physics, Southern Methodist University,Dallas, TX 75275-0181 (United States); Schmidt, Carl; Stump, Daniel [Department of Physics and Astronomy, Michigan State University,East Lansing, MI 48824 (United States); Wang, Bo-Ting; Xie, Ke Ping [Department of Physics, Southern Methodist University,Dallas, TX 75275-0181 (United States); Dulat, Sayipjamal [Department of Physics and Astronomy, Michigan State University,East Lansing, MI 48824 (United States); School of Physics Science and Technology, Xinjiang University,Urumqi, Xinjiang 830046 (China); Center for Theoretical Physics, Xinjiang University,Urumqi, Xinjiang 830046 (China); Pumplin, Jon; Yuan, C.P. [Department of Physics and Astronomy, Michigan State University,East Lansing, MI 48824 (United States)

2017-03-20

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

Accuracy of three-dimensional printing for manufacturing replica teeth

OpenAIRE

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

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 sc...

The added value of the replica simulators in the exploitation of nuclear power plants; El valor anadido de los simuladores replica en la explotacion de las centrales nucleares

Energy Technology Data Exchange (ETDEWEB)

Diaz Giron, P. a.; Ortega, F.; Rivero, N.

2011-07-01

Nuclear power plants full scope replica simulators were in the past solely designed following operational personnel training criteria. Nevertheless, these simulators not only feature a high replica control room but also provide an accurate process response. Control room replica simulators are presently based on complex technological platforms permitting highest physical and functional fidelity, allowing to be used as versatile and value added tools in diverse plants operation and maintenance activities. In recent years. Tecnatom has extended the use of such simulators to different engineering applications. this article intends to identify the simulators use in training and other applications beyond training. (Author)

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

Science.gov (United States)

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

2016-04-01

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

Fast Optimal Replica Placement with Exhaustive Search Using Dynamically Reconfigurable Processor

Directory of Open Access Journals (Sweden)

Hidetoshi Takeshita

2011-01-01

Full Text Available This paper proposes a new replica placement algorithm that expands the exhaustive search limit with reasonable calculation time. It combines a new type of parallel data-flow processor with an architecture tuned for fast calculation. The replica placement problem is to find a replica-server set satisfying service constraints in a content delivery network (CDN. It is derived from the set cover problem which is known to be NP-hard. It is impractical to use exhaustive search to obtain optimal replica placement in large-scale networks, because calculation time increases with the number of combinations. To reduce calculation time, heuristic algorithms have been proposed, but it is known that no heuristic algorithm is assured of finding the optimal solution. The proposed algorithm suits parallel processing and pipeline execution and is implemented on DAPDNA-2, a dynamically reconfigurable processor. Experiments show that the proposed algorithm expands the exhaustive search limit by the factor of 18.8 compared to the conventional algorithm search limit running on a Neumann-type processor.

General technique to produce isochronous Hamiltonians

International Nuclear Information System (INIS)

Calogero, F; Leyvraz, F

2007-01-01

We introduce a new technique-characterized by an arbitrary positive constant Ω, with which we associate the period T = 2π/Ω-to 'Ω-modify' a Hamiltonian so that the new Hamiltonian thereby obtained is entirely isochronous, namely it yields motions all of which (except possibly for a lower dimensional set of singular motions) are periodic with the same fixed period T in all their degrees of freedom. This technique transforms real autonomous Hamiltonians into Ω-modified Hamiltonians which are also real and autonomous, and it is widely applicable, for instance, to the most general many-body problem characterized by Newtonian equations of motion ('acceleration equal force') provided it is translation invariant. The Ω-modified Hamiltonians are of course not translation invariant, but for Ω = 0 they reduce (up to marginal changes) to the unmodified Hamiltonians they were obtained from. Hence, when this technique is applied to translation-invariant Hamiltonians yielding, in their center-of-mass systems, chaotic motions with a natural time scale much smaller than T, the corresponding Ω-modified Hamiltonians shall display a chaotic behavior for quite some time before the isochronous character of the motions takes over. We moreover show that the quantized versions of these Ω-modified Hamiltonians feature equispaced spectra

Replica symmetry breaking solution for two-sublattice fermionic Ising spin glass models in a transverse field

International Nuclear Information System (INIS)

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

2007-01-01

The one-step replica symmetry breaking is used to study the competition between spin glass (SG) and antiferromagnetic order (AF) in two-sublattice fermionic Ising SG models in the presence of a transverse Γ and a parallel H magnetic fields. Inter- and intra-sublattice exchange interactions following Gaussian distributions are considered. The problem is formulated in a Grassmann path integral formalism within the static ansatz. Results show that H favors the non-ergodic mixed phase (AF+SG) and it destroys the AF. The Γ suppresses the magnetic orders, and the intra-sublattice interaction can introduce a discontinuous phase transition

Patrol Detection for Replica Attacks on Wireless Sensor Networks

Directory of Open Access Journals (Sweden)

Yang Shi

2011-02-01

Full Text Available 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.

Replica methods for loopy sparse random graphs

International Nuclear Information System (INIS)

Coolen, ACC

2016-01-01

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

Microlens fabrication by replica molding of frozen laser-printed droplets

Science.gov (United States)

Surdo, Salvatore; Diaspro, Alberto; Duocastella, Martí

2017-10-01

In this work, we synergistically combine laser-induced forward transfer (LIFT) and replica molding for the fabrication of microlenses with control of their geometry and size independent of the material or substrate used. Our approach is based on a multistep process in which liquid microdroplets of an aqueous solution are first printed on a substrate by LIFT. Following a freezing step, the microdroplets are used as a master to fabricate a polydimethylsiloxane (PDMS) mold. A subsequent replica molding step enables the creation of microlenses and microlens arrays on arbitrary selected substrates and by using different curable polymers. Thus, our method combines the rapid fabrication capabilities of LIFT and the perfectively smooth surface quality of the generated microdroplets, with the advantages of replica molding in terms of parallelization and materials flexibility. We demonstrate our strategy by generating microlenses of different photocurable polymers and by characterizing their optical and morphological properties.

Renormalization of Hamiltonian QCD

International Nuclear Information System (INIS)

Andrasi, A.; Taylor, John C.

2009-01-01

We study to one-loop order the renormalization of QCD in the Coulomb gauge using the Hamiltonian formalism. Divergences occur which might require counter-terms outside the Hamiltonian formalism, but they can be cancelled by a redefinition of the Yang-Mills electric field.

3D printed replicas for endodontic education.

Science.gov (United States)

Reymus, M; Fotiadou, C; Kessler, A; Heck, K; Hickel, R; Diegritz, C

2018-06-14

To assess the feasibility of producing artificial teeth for endodontic training using 3D printing technology, to analyse the accuracy of the printing process, and to evaluate the teeth by students when used during training. Sound extracted human teeth were selected, digitalized by cone beam computed tomography (CBCT) and appropriate software and finally reproduced by a stereolithographic printer. The printed teeth were scanned and compared with the original ones (trueness) and to one another (precision). Undergraduate dental students in the third and fourth years performed root canal treatment on printed molars and were subsequently asked to evaluate their experience with these compared to real teeth. The workflow was feasible for manufacturing 3D printed tooth replicas. The absolute deviation after printing (trueness) ranged from 50.9μm to 104.3μm. The values for precision ranged from 43.5μm to 68.2μm. Students reported great benefits in the use of the replicated teeth for training purposes. The presented workflow is feasible for any dental educational institution who has access to a CBCT unit and a stereolithographic printer. The accuracy of the printing process is suitable for the production of tooth replicas for endodontic training. Undergraduate students favoured the availability of these replicas and the fairness they ensured in training due to standardization. This article is protected by copyright. All rights reserved. This article is protected by copyright. All rights reserved.

Production of entropy on simplified dynamics in spin glass systems

CERN Document Server

Saakyan, D B

2001-01-01

In models of spin glasses one eliminates condition of extreme based on one of the order parameters. On the basis of the available expression for static sum one derived the effective hamiltonian for parameter and the appropriate energy. Relaxation of the system is studied as energy exchange between the degree of freedom related to the order slow parameter and with the rest of the system. At that level one may indicate point of glass capture within phase space on the basis of the static solutions. One studies p-spin model without magnetic field in case of replica symmetry violation. One studies dynamics of p-spin glass in magnetic field in replica-symmetrical phase. One studied model of spins with quadratic interaction when dynamic constants had temperature differing from temperature of space

Creating technical heritage object replicas in a virtual environment

Science.gov (United States)

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.

Geometry of Hamiltonian chaos

DEFF Research Database (Denmark)

Horwitz, Lawrence; Zion, Yossi Ben; Lewkowicz, Meir

2007-01-01

The characterization of chaotic Hamiltonian systems in terms of the curvature associated with a Riemannian metric tensor in the structure of the Hamiltonian is extended to a wide class of potential models of standard form through definition of a conformal metric. The geodesic equations reproduce ...

Magnetic field line Hamiltonian

International Nuclear Information System (INIS)

Boozer, A.H.

1984-03-01

The magnetic field line Hamiltonian and the associated canonical form for the magnetic field are important concepts both for understanding toroidal plasma physics and for practical calculations. A number of important properties of the canonical or Hamiltonian representation are derived and their importance is explained

Standard practice for production and evaluation of field metallographic replicas

CERN Document Server

American Society for Testing and Materials. Philadelphia

2001-01-01

1.1 This practice covers recognized methods for the preparation and evaluation of cellulose acetate or plastic film replicas which have been obtained from metallographically prepared surfaces. It is designed for the evaluation of replicas to ensure that all significant features of a metallographically prepared surface have been duplicated and preserved on the replica with sufficient detail to permit both LM and SEM examination with optimum resolution and sensitivity. 1.2 This practice may be used as a controlling document in commercial situations. 1.3 The values stated in SI units are to be regarded as the standard. Inch-pound units given in parentheses are for information only. 1.4 This standard does not purport to address all of the safety concerns, if any, associated with its use. It is the responsibility of the user of this standard to establish appropriate safety and health practices and determine the applicability of regulatory limitations prior to use.

Canonical transformations and hamiltonian path integrals

International Nuclear Information System (INIS)

Prokhorov, L.V.

1982-01-01

Behaviour of the Hamiltonian path integrals under canonical transformations produced by a generator, is investigated. An exact form is determined for the kernel of the unitary operator realizing the corresponding quantum transformation. Equivalence rules are found (the Hamiltonian formalism, one-dimensional case) enabling one to exclude non-standard terms from the action. It is shown that the Hamiltonian path integral changes its form under cononical transformations: in the transformed expression besides the classical Hamiltonian function there appear some non-classical terms

Perspective: Quantum Hamiltonians for optical interactions

Science.gov (United States)

Andrews, David L.; Jones, Garth A.; Salam, A.; Woolley, R. Guy

2018-01-01

The multipolar Hamiltonian of quantum electrodynamics is extensively employed in chemical and optical physics to treat rigorously the interaction of electromagnetic fields with matter. It is also widely used to evaluate intermolecular interactions. The multipolar version of the Hamiltonian is commonly obtained by carrying out a unitary transformation of the Coulomb gauge Hamiltonian that goes by the name of Power-Zienau-Woolley (PZW). Not only does the formulation provide excellent agreement with experiment, and versatility in its predictive ability, but also superior physical insight. Recently, the foundations and validity of the PZW Hamiltonian have been questioned, raising a concern over issues of gauge transformation and invariance, and whether observable quantities obtained from unitarily equivalent Hamiltonians are identical. Here, an in-depth analysis of theoretical foundations clarifies the issues and enables misconceptions to be identified. Claims of non-physicality are refuted: the PZW transformation and ensuing Hamiltonian are shown to rest on solid physical principles and secure theoretical ground.

Replica-Based High-Performance Tuple Space Computing

DEFF Research Database (Denmark)

Andric, Marina; De Nicola, Rocco; Lluch Lafuente, Alberto

2015-01-01

of concurrency and data access. We investigate issues related to replica consistency, provide an operational semantics that guides the implementation of the language, and discuss the main synchronization mechanisms of our prototypical run-time framework. Finally, we provide a performance analysis, which includes...

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

Science.gov (United States)

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…

Notch filters for port-Hamiltonian systems

NARCIS (Netherlands)

Dirksz, D.A.; Scherpen, J.M.A.; van der Schaft, A.J.; Steinbuch, M.

2012-01-01

In this paper a standard notch filter is modeled in the port-Hamiltonian framework. By having such a port-Hamiltonian description it is proven that the notch filter is a passive system. The notch filter can then be interconnected with another (nonlinear) port-Hamiltonian system, while preserving the

Noncanonical Hamiltonian methods in plasma dynamics

International Nuclear Information System (INIS)

Kaufman, A.N.

1981-11-01

A Hamiltonian approach to plasma dynamics has numerous advantages over equivalent formulations which ignore the underlying Hamiltonian structure. In addition to achieving a deeper understanding of processes, Hamiltonian methods yield concise expressions (such as the Kubo form for linear susceptibility), greatly shorten the length of calculations, expose relationships (such as between the ponderomotive Hamiltonian and the linear susceptibility), determine invariants in terms of symmetry operations, and cover situations of great generality. In addition, they yield the Poincare invariants, in particular Liouville volume and adiabatic actions

Automated magnification calibration in transmission electron microscopy using Fourier analysis of replica images

International Nuclear Information System (INIS)

Laak, Jeroen A.W.M. van der; Dijkman, Henry B.P.M.; Pahlplatz, Martin M.M.

2006-01-01

The magnification factor in transmission electron microscopy is not very precise, hampering for instance quantitative analysis of specimens. Calibration of the magnification is usually performed interactively using replica specimens, containing line or grating patterns with known spacing. In the present study, a procedure is described for automated magnification calibration using digital images of a line replica. This procedure is based on analysis of the power spectrum of Fourier transformed replica images, and is compared to interactive measurement in the same images. Images were used with magnification ranging from 1,000x to 200,000x. The automated procedure deviated on average 0.10% from interactive measurements. Especially for catalase replicas, the coefficient of variation of automated measurement was considerably smaller (average 0.28%) compared to that of interactive measurement (average 3.5%). In conclusion, calibration of the magnification in digital images from transmission electron microscopy may be performed automatically, using the procedure presented here, with high precision and accuracy

Theory of collective Hamiltonian

Energy Technology Data Exchange (ETDEWEB)

Zhang Qingying

1982-02-01

Starting from the cranking model, we derive the nuclear collective Hamiltonian. We expand the total energy of the collective motion of the ground state of even--even nuclei in powers of the deformation parameter ..beta... In the first approximation, we only take the lowest-order non-vanished terms in the expansion. The collective Hamiltonian thus obtained rather differs from the A. Bohr's Hamiltonian obtained by the irrotational incompressible liquid drop model. If we neglect the coupling term between ..beta..-and ..gamma..-vibration, our Hamiltonian then has the same form as that of A. Bohr. But there is a difference between these collective parameters. Our collective parameters are determined by the state of motion of the nucleous in the nuclei. They are the microscopic expressions. On the contrary, A. Bohr's collective parameters are only the simple functions of the microscopic physical quantities (such as nuclear radius and surface tension, etc.), and independent of the state of motion of the nucleons in the nuclei. Furthermore, there exist the coupling term between ..beta..-and ..gamma..-vibration and the higher-order terms in our expansion. They can be treated as the perturbations. There are no such terms in A. Bohr's Hamiltonian. These perturbation terms will influence the rotational, vibrational spectra and the ..gamma..-transition process, etc.

A replica exchange Monte Carlo algorithm for protein folding in the HP model

Directory of Open Access Journals (Sweden)

Shmygelska Alena

2007-09-01

Full Text Available Abstract Background The ab initio protein folding problem consists of predicting protein tertiary structure from a given amino acid sequence by minimizing an energy function; it is one of the most important and challenging problems in biochemistry, molecular biology and biophysics. The ab initio protein folding problem is computationally challenging and has been shown to be NP MathType@MTEF@5@5@+=feaafiart1ev1aaatCvAUfKttLearuWrP9MDH5MBPbIqV92AaeXatLxBI9gBaebbnrfifHhDYfgasaacH8akY=wiFfYdH8Gipec8Eeeu0xXdbba9frFj0=OqFfea0dXdd9vqai=hGuQ8kuc9pgc9s8qqaq=dirpe0xb9q8qiLsFr0=vr0=vr0dc8meaabaqaciaacaGaaeqabaqabeGadaaakeaat0uy0HwzTfgDPnwy1egaryqtHrhAL1wy0L2yHvdaiqaacqWFneVtcqqGqbauaaa@3961@-hard even when conformations are restricted to a lattice. In this work, we implement and evaluate the replica exchange Monte Carlo (REMC method, which has already been applied very successfully to more complex protein models and other optimization problems with complex energy landscapes, in combination with the highly effective pull move neighbourhood in two widely studied Hydrophobic Polar (HP lattice models. Results We demonstrate that REMC is highly effective for solving instances of the square (2D and cubic (3D HP protein folding problem. When using the pull move neighbourhood, REMC outperforms current state-of-the-art algorithms for most benchmark instances. Additionally, we show that this new algorithm provides a larger ensemble of ground-state structures than the existing state-of-the-art methods. Furthermore, it scales well with sequence length, and it finds significantly better conformations on long biological sequences and sequences with a provably unique ground-state structure, which is believed to be a characteristic of real proteins. We also present evidence that our REMC algorithm can fold sequences which exhibit significant interaction between termini in the hydrophobic core relatively easily. Conclusion We demonstrate that REMC utilizing the pull move

Collective Hamiltonians for dipole giant resonances

International Nuclear Information System (INIS)

Weiss, L.I.

1991-07-01

The collective hamiltonian for the Giant Dipole resonance (GDR), in the Goldhaber-Teller-Model, is analytically constructed using the semiclassical and generator coordinates method. Initially a conveniently parametrized set of many body wave functions and a microscopic hamiltonian, the Skyrme hamiltonian - are used. These collective Hamiltonians are applied to the investigation of the GDR, in He 4 , O 16 and Ca 40 nuclei. Also the energies and spectra of the GDR are obtained in these nuclei. The two sets of results are compared, and the zero point energy effects analysed. (author)

On the domain of the Nelson Hamiltonian

Science.gov (United States)

Griesemer, M.; Wünsch, A.

2018-04-01

The Nelson Hamiltonian is unitarily equivalent to a Hamiltonian defined through a closed, semibounded quadratic form, the unitary transformation being explicitly known and due to Gross. In this paper, we study the mapping properties of the Gross-transform in order to characterize the regularity properties of vectors in the form domain of the Nelson Hamiltonian. Since the operator domain is a subset of the form domain, our results apply to vectors in the domain of the Hamiltonian as well. This work is a continuation of our previous work on the Fröhlich Hamiltonian.

Synthesis and properties of ZnFe2O4 replica with biological hierarchical structure

International Nuclear Information System (INIS)

Liu, Hongyan; Guo, Yiping; Zhang, Yangyang; Wu, Fen; Liu, Yun; Zhang, Di

2013-01-01

Highlights: • ZFO replica with hierarchical structure was synthesized from butterfly wings. • Biotemplate has a significant impact on the properties of ZFO material. • Our method opens up new avenues for the synthesis of spinel ferrites. -- Abstract: ZnFe 2 O 4 replica with biological hierarchical structure was synthesized from Papilio paris by a sol–gel method followed by calcination. The crystallographic structure and morphology of the obtained samples were characterized by X-ray diffraction, field-emission scanning electron microscope, and transmittance electron microscope. The results showed that the hierarchical structures were retained in the ZFO replica of spinel structure. The magnetic behavior of such novel products was measured by a vibrating sample magnetometer. A superparamagnetism-like behavior was observed due to nanostructuration size effects. In addition, the ZFO replica with “quasi-honeycomb-like structure” showed a much higher specific capacitance of 279.4 F g −1 at 10 mV s −1 in comparison with ZFO powder of 137.3 F g −1 , attributing to the significantly increased surface area. These results demonstrated that ZFO replica is a promising candidate for novel magnetic devices and supercapacitors

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

Science.gov (United States)

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.

Geometric Hamiltonian structures and perturbation theory

International Nuclear Information System (INIS)

Omohundro, S.

1984-08-01

We have been engaged in a program of investigating the Hamiltonian structure of the various perturbation theories used in practice. We describe the geometry of a Hamiltonian structure for non-singular perturbation theory applied to Hamiltonian systems on symplectic manifolds and the connection with singular perturbation techniques based on the method of averaging

Time dependent drift Hamiltonian

International Nuclear Information System (INIS)

Boozer, A.H.

1982-04-01

The motion of individual charged particles in a given magnetic and an electric fields is discussed. An idea of a guiding center distribution function f is introduced. The guiding center distribution function is connected to the asymptotic Hamiltonian through the drift kinetic equation. The general non-stochastic magnetic field can be written in a contravariant and a covariant forms. The drift Hamiltonian is proposed, and the canonical gyroradius is presented. The proposed drift Hamiltonian agrees with Alfven's drift velocity to lowest non-vanishing order in the gyroradius. The relation between the exact, time dependent equations of motion and the guiding center equation is clarified by a Lagrangian analysis. The deduced Lagrangian represents the drift motion. (Kato, T.)

Magnetic field line Hamiltonian

International Nuclear Information System (INIS)

Boozer, A.H.

1985-02-01

The basic properties of the Hamiltonian representation of magnetic fields in canonical form are reviewed. The theory of canonical magnetic perturbation theory is then developed and applied to the time evolution of a magnetic field embedded in a toroidal plasma. Finally, the extension of the energy principle to tearing modes, utilizing the magnetic field line Hamiltonian, is outlined

Hamiltonian closures in fluid models for plasmas

Science.gov (United States)

Tassi, Emanuele

2017-11-01

This article reviews recent activity on the Hamiltonian formulation of fluid models for plasmas in the non-dissipative limit, with emphasis on the relations between the fluid closures adopted for the different models and the Hamiltonian structures. The review focuses on results obtained during the last decade, but a few classical results are also described, in order to illustrate connections with the most recent developments. With the hope of making the review accessible not only to specialists in the field, an introduction to the mathematical tools applied in the Hamiltonian formalism for continuum models is provided. Subsequently, we review the Hamiltonian formulation of models based on the magnetohydrodynamics description, including those based on the adiabatic and double adiabatic closure. It is shown how Dirac's theory of constrained Hamiltonian systems can be applied to impose the incompressibility closure on a magnetohydrodynamic model and how an extended version of barotropic magnetohydrodynamics, accounting for two-fluid effects, is amenable to a Hamiltonian formulation. Hamiltonian reduced fluid models, valid in the presence of a strong magnetic field, are also reviewed. In particular, reduced magnetohydrodynamics and models assuming cold ions and different closures for the electron fluid are discussed. Hamiltonian models relaxing the cold-ion assumption are then introduced. These include models where finite Larmor radius effects are added by means of the gyromap technique, and gyrofluid models. Numerical simulations of Hamiltonian reduced fluid models investigating the phenomenon of magnetic reconnection are illustrated. The last part of the review concerns recent results based on the derivation of closures preserving a Hamiltonian structure, based on the Hamiltonian structure of parent kinetic models. Identification of such closures for fluid models derived from kinetic systems based on the Vlasov and drift-kinetic equations are presented, and

Single-particle dynamics - Hamiltonian formulation

International Nuclear Information System (INIS)

Montague, B.W.

1977-01-01

In this paper the Hamiltonian formalism is applied to the linear theory of accelerator dynamics. The reasons for the introduction of this method rather than the more straightforward use of second order differential equations of motion are briefly discussed. An outline of Lagrangian and Hamiltonian formalism is given, some properties of the Hamiltonian are discussed and canonical transformations are illustrated. The methods are demonstrated using elementary examples such as the simple pendulum and the procedures adopted to handle specific problems in accelerator theory are indicated. (B.D.)

The Hamiltonian of QED. Zero mode

International Nuclear Information System (INIS)

Zastavenko, L.G.

1990-01-01

We start with the standard QED Lagrangian. New derivation of the spinor QED Hamiltonian is given. We have taken into account the zero mode. Our derivation is faultless from the point of view of gauge invariance. It gives important corrections to the standard QED Hamiltonian. Our derivation of the Hamiltonian can be generalized to the case of QCD. 5 refs

Replicas Strategy and Cache Optimization of Video Surveillance Systems Based on Cloud Storage

Directory of Open Access Journals (Sweden)

Rongheng Li

2018-04-01

Full Text Available With the rapid development of video surveillance technology, especially the popularity of cloud-based video surveillance applications, video data begins to grow explosively. However, in the cloud-based video surveillance system, replicas occupy an amount of storage space. Also, the slow response to video playback constrains the performance of the system. In this paper, considering the characteristics of video data comprehensively, we propose a dynamic redundant replicas mechanism based on security levels that can dynamically adjust the number of replicas. Based on the location correlation between cameras, this paper also proposes a data cache strategy to improve the response speed of data reading. Experiments illustrate that: (1 our dynamic redundant replicas mechanism can save storage space while ensuring data security; (2 the cache mechanism can predict the playback behaviors of the users in advance and improve the response speed of data reading according to the location and time correlation of the front-end cameras; and (3 in terms of cloud-based video surveillance, our proposed approaches significantly outperform existing methods.

Replica analysis of partition-function zeros in spin-glass models

International Nuclear Information System (INIS)

Takahashi, Kazutaka

2011-01-01

We study the partition-function zeros in mean-field spin-glass models. We show that the replica method is useful to find the locations of zeros in a complex parameter plane. For the random energy model, we obtain the phase diagram in the plane and find that there are two types of distributions of zeros: two-dimensional distribution within a phase and one-dimensional one on a phase boundary. Phases with a two-dimensional distribution are characterized by a novel order parameter defined in the present replica analysis. We also discuss possible patterns of distributions by studying several systems.

The added value of the replica simulators in the exploitation of nuclear power plants

International Nuclear Information System (INIS)

Diaz Giron, P. a.; Ortega, F.; Rivero, N.

2011-01-01

Nuclear power plants full scope replica simulators were in the past solely designed following operational personnel training criteria. Nevertheless, these simulators not only feature a high replica control room but also provide an accurate process response. Control room replica simulators are presently based on complex technological platforms permitting highest physical and functional fidelity, allowing to be used as versatile and value added tools in diverse plants operation and maintenance activities. In recent years. Tecnatom has extended the use of such simulators to different engineering applications. this article intends to identify the simulators use in training and other applications beyond training. (Author)

Dissipative systems and Bateman's Hamiltonian

International Nuclear Information System (INIS)

Pedrosa, I.A.; Baseia, B.

1983-01-01

It is shown, by using canonical transformations, that one can construct Bateman's Hamiltonian from a Hamiltonian for a conservative system and obtain a clear physical interpretation which explains the ambiguities emerging from its application to describe dissipative systems. (Author) [pt

Diagonalization of Hamiltonian; Diagonalization of Hamiltonian

Energy Technology Data Exchange (ETDEWEB)

Garrido, L M; Pascual, P

1960-07-01

We present a general method to diagonalized the Hamiltonian of particles of arbitrary spin. In particular we study the cases of spin 0,1/2, 1 and see that for spin 1/2 our transformation agrees with Foldy's and obtain the expression for different observables for particles of spin C and 1 in the new representation. (Author) 7 refs.

Squeezed states from a quantum deformed oscillator Hamiltonian

Energy Technology Data Exchange (ETDEWEB)

Ramírez, R. [IFLP, CONICET–Department of Mathematics, University of La Plata c.c. 67 1900, La Plata (Argentina); Reboiro, M., E-mail: marta.reboiro@gmail.com [IFLP, CONICET–Department of Physics, University of La Plata c.c. 67 1900, La Plata (Argentina)

2016-03-11

The spectrum and the time evolution of a system, which is modeled by a non-hermitian quantum deformed oscillator Hamiltonian, is analyzed. The proposed Hamiltonian is constructed from a non-standard realization of the algebra of Heisenberg. We show that, for certain values of the coupling constants and for a range of values of the deformation parameter, the deformed Hamiltonian is a pseudo-hermitic Hamiltonian. We explore the conditions under which the Hamiltonian is similar to a Swanson Hamiltonian. Also, we show that the lowest eigenstate of the system is a squeezed state. We study the time evolution of the system, for different initial states, by computing the corresponding Wigner functions. - Highlights: • A generalization of the squeezed harmonic oscillator is constructed from a non-standard realization of the Heisenberg algebra. • It is proved that, for certain values of the parameters of the model, the Hamiltonian is a pseudo-hermitian Hamiltonian. • It is shown that the lowest eigenstate of the Hamiltonian is a squeezed state. • The squeezing behavior of the associated Gazeau–Klauder state, as a function of time, is discussed.

Zeolite-templated carbon replica: a Grand Canonical Monte-Carlo simulation study

International Nuclear Information System (INIS)

Thomas Roussel; Roland J M Pellenq; Christophe Bichara; Roger Gadiou; Antoine Didion; Cathie Vix Guterl; Fabrice Gaslain; Julien Parmentier; Valentin Valtchev; Joel Patarin

2005-01-01

Microporous carbon materials are interesting for several applications such as hydrogen storage, catalysis or electrical double layer capacitors. The development of the negative templating method to obtain carbon replicas from ordered templates, has lead to the synthesis of several new materials which have interesting textural properties, attractive for energy storage. Among the possible templates, zeolites can be used to obtain highly microporous carbon materials. Nevertheless, the phenomena involved in the replica synthesis are not fully understood, and the relationships between the structure of the template, the carbon precursor and the resulting carbon material need to be investigated. Experimental results for carbon zeolite-templated nano-structures can be found in a series of papers; see for instance ref. [1] in which Wang et al describe a route to ultra-small Single Wall Carbon Nano-tubes (SWNTs) using the porosity of zeolite AlPO 4 -5. After matrix removal, the resulting structure is a free-standing bundle of 4 Angstroms large nano-tubes. However, it is highly desirable to obtain an ordered porous carbon structure that forms a real 3D network to be used for instance in gas storage applications. Carbon replica of faujasite and EMT zeolites can have these properties since these zeolites have a 3D porous network made of 10 Angstroms cages connected to each other through 7 Angstroms large windows. The first step of this study was to generate a theoretical carbon replica structure of various zeolites (faujasite, EMT, AlPO 4 -5, silicalite). For this purpose, we used the Grand Canonical Monte-Carlo (GCMC) technique in which the carbon-carbon interactions were described within the frame of a newly developed Tight Binding approach and the carbon-zeolite interactions assumed to be characteristic of physi-sorption. The intrinsic stability of the subsequent carbon nano-structures was then investigated after mimicking the removal of the inorganic phase by switching

Utility of replica techniques for x-ray microanalysis of second phase particles

International Nuclear Information System (INIS)

Bentley, J.

1984-01-01

X-ray microanalysis of second phase particles in ion-milled or electropolished thin foils is often complicated by the presence of the matrix nearby. Extraction replica techniques provide a means to avoid many of the complications of thin-foil analyses. In this paper, three examples of the analysis of second phase particles are described and illustrate the improvement obtained by the use of extraction replicas for qualitative analysis, quantitative analysis, and analysis of radioactive specimens

Quantum Hamiltonian reduction in superspace formalism

International Nuclear Information System (INIS)

Madsen, J.O.; Ragoucy, E.

1994-02-01

Recently the quantum Hamiltonian reduction was done in the case of general sl(2) embeddings into Lie algebras and superalgebras. The results are extended to the quantum Hamiltonian reduction of N=1 affine Lie superalgebras in the superspace formalism. It is shown that if we choose a gauge for the supersymmetry, and consider only certain equivalence classes of fields, then our quantum Hamiltonian reduction reduces to quantum Hamiltonian reduction of non-supersymmetric Lie superalgebras. The super energy-momentum tensor is constructed explicitly as well as all generators of spin 1 (and 1/2); thus all generators in the superconformal, quasi-superconformal and Z 2 *Z 2 superconformal algebras are constructed. (authors). 21 refs

Discrete Hamiltonian evolution and quantum gravity

International Nuclear Information System (INIS)

Husain, Viqar; Winkler, Oliver

2004-01-01

We study constrained Hamiltonian systems by utilizing general forms of time discretization. We show that for explicit discretizations, the requirement of preserving the canonical Poisson bracket under discrete evolution imposes strong conditions on both allowable discretizations and Hamiltonians. These conditions permit time discretizations for a limited class of Hamiltonians, which does not include homogeneous cosmological models. We also present two general classes of implicit discretizations which preserve Poisson brackets for any Hamiltonian. Both types of discretizations generically do not preserve first class constraint algebras. Using this observation, we show that time discretization provides a complicated time gauge fixing for quantum gravity models, which may be compared with the alternative procedure of gauge fixing before discretization

Generalized oscillator representations for Calogero Hamiltonians

International Nuclear Information System (INIS)

Tyutin, I V; Voronov, B L

2013-01-01

This paper is a natural continuation of the previous paper (Gitman et al 2011 J. Phys. A: Math. Theor. 44 425204), where oscillator representations for nonnegative Calogero Hamiltonians with coupling constant α ⩾ − 1/4 were constructed. In this paper, we present generalized oscillator representations for all Calogero Hamiltonians with α ⩾ − 1/4. These representations are generally highly nonunique, but there exists an optimum representation for each Hamiltonian. (comment)

The Efficacy of Epidemic Algorithms on Detecting Node Replicas in Wireless Sensor Networks

Directory of Open Access Journals (Sweden)

Narasimha Shashidhar

2015-12-01

Full Text Available A node replication attack against a wireless sensor network involves surreptitious efforts by an adversary to insert duplicate sensor nodes into the network while avoiding detection. Due to the lack of tamper-resistant hardware and the low cost of sensor nodes, launching replication attacks takes little effort to carry out. Naturally, detecting these replica nodes is a very important task and has been studied extensively. In this paper, we propose a novel distributed, randomized sensor duplicate detection algorithm called Discard to detect node replicas in group-deployed wireless sensor networks. Our protocol is an epidemic, self-organizing duplicate detection scheme, which exhibits emergent properties. Epidemic schemes have found diverse applications in distributed computing: load balancing, topology management, audio and video streaming, computing aggregate functions, failure detection, network and resource monitoring, to name a few. To the best of our knowledge, our algorithm is the first attempt at exploring the potential of this paradigm to detect replicas in a wireless sensor network. Through analysis and simulation, we show that our scheme achieves robust replica detection with substantially lower communication, computational and storage requirements than prior schemes in the literature.

Constructing Dense Graphs with Unique Hamiltonian Cycles

Science.gov (United States)

Lynch, Mark A. M.

2012-01-01

It is not difficult to construct dense graphs containing Hamiltonian cycles, but it is difficult to generate dense graphs that are guaranteed to contain a unique Hamiltonian cycle. This article presents an algorithm for generating arbitrarily large simple graphs containing "unique" Hamiltonian cycles. These graphs can be turned into dense graphs…

Magneto-structural correlations in exchange coupled systems

International Nuclear Information System (INIS)

Willett, R.D.; Gatteschi, D.; Kahn, O.

1985-01-01

This book contains 19 chapters. Some of the chapter titles are: Optical Spectroscophy; The Basis of Spin-Hamiltonian Theory; Inelastic Neutorn Scattering From Clusters; Magneto-structural Correlations in Bioinorganic Chemistry; and Magnetic Exchange Interactions Propagated by Multi-Atom Bridges

On the exchange term of the interacting boson-fermion hamiltonian

International Nuclear Information System (INIS)

Gelberg, A.

1983-01-01

The exchange term of the Interacting Boson Fermion Model is investigated by using I. Talmi's method based on the shell model. A quadrupole operator of a three-proton system is formed; the protons are quadrupole-coupled to the neutron-bosons. Seniority conserving and seniority non conserving terms are considered. The particle number dependence of the parameters is investigated for the single-j shell. The relation between exchange and direct, seniority non conserving terms is examined. Approximate formulas are given for the multi-j shell. (orig.)

On the physical applications of hyper-Hamiltonian dynamics

International Nuclear Information System (INIS)

Gaeta, Giuseppe; Rodriguez, Miguel A

2008-01-01

An extension of Hamiltonian dynamics, defined on hyper-Kahler manifolds ('hyper-Hamiltonian dynamics') and sharing many of the attractive features of standard Hamiltonian dynamics, was introduced in previous work. In this paper, we discuss applications of the theory to physically interesting cases, dealing with the dynamics of particles with spin 1/2 in a magnetic field, i.e. the Pauli and the Dirac equations. While the free Pauli equation corresponds to a hyper-Hamiltonian flow, it turns out that the hyper-Hamiltonian description of the Dirac equation, and of the full Pauli one, is in terms of two commuting hyper-Hamiltonian flows. In this framework one can use a factorization principle discussed here (which is a special case of a general phenomenon studied by Walcher) and provide an explicit description of the resulting flow. On the other hand, by applying the familiar Foldy-Wouthuysen and Cini-Tousheck transformations (and the one recently introduced by Mulligan) which separate-in suitable limits-the Dirac equation into two equations, each of these turn out to be described by a single hyper-Hamiltonian flow. Thus the hyper-Hamiltonian construction is able to describe the fundamental dynamics for particles with spin

Oscillator representations for self-adjoint Calogero Hamiltonians

Energy Technology Data Exchange (ETDEWEB)

Gitman, D M [Institute of Physics, University of Sao Paulo (Brazil); Tyutin, I V; Voronov, B L, E-mail: gitman@dfn.if.usp.br, E-mail: tyutin@lpi.ru, E-mail: voronov@lpi.ru [Lebedev Physical Institute, Moscow (Russian Federation)

2011-10-21

In Gitman et al (2010 J. Phys. A: Math. Theor. 43 145205), we presented a mathematically rigorous quantum-mechanical treatment of a one-dimensional motion of a particle in the Calogero potential V(x) = {alpha}x{sup -2}. We described all possible self-adjoint (s.a.) operators (s.a. Hamiltonians) associated with the differential operation H=-d{sub x}{sup 2}+{alpha}x{sup -2} for the Calogero Hamiltonian. Here, we discuss a new aspect of the problem, the so-called oscillator representations for the Calogero Hamiltonians. As is known, operators of the form N-hat = a-hat{sup +} a-hat and A-hat = a-hat a-hat{sup +} are called operators of oscillator type. Oscillator-type operators possess a number of useful properties in the case when the elementary operators a-hat are closed. It turns out that some s.a. Calogero Hamiltonians allow oscillator-type representations. We describe such Hamiltonians and find the corresponding mutually adjoint elementary operators a-hat and a-hat{sup +}. An oscillator-type representation for a given Hamiltonian is generally not unique. (paper)

Oscillator representations for self-adjoint Calogero Hamiltonians

International Nuclear Information System (INIS)

Gitman, D M; Tyutin, I V; Voronov, B L

2011-01-01

In Gitman et al (2010 J. Phys. A: Math. Theor. 43 145205), we presented a mathematically rigorous quantum-mechanical treatment of a one-dimensional motion of a particle in the Calogero potential V(x) = αx -2 . We described all possible self-adjoint (s.a.) operators (s.a. Hamiltonians) associated with the differential operation H=-d x 2 +αx -2 for the Calogero Hamiltonian. Here, we discuss a new aspect of the problem, the so-called oscillator representations for the Calogero Hamiltonians. As is known, operators of the form N-hat = a-hat + a-hat and A-hat = a-hat a-hat + are called operators of oscillator type. Oscillator-type operators possess a number of useful properties in the case when the elementary operators a-hat are closed. It turns out that some s.a. Calogero Hamiltonians allow oscillator-type representations. We describe such Hamiltonians and find the corresponding mutually adjoint elementary operators a-hat and a-hat + . An oscillator-type representation for a given Hamiltonian is generally not unique. (paper)

Surgery planning and navigation by laser lithography plastic replica. Features, clinical applications, and advantages

International Nuclear Information System (INIS)

Kihara, Tomohiko; Tanaka, Yuuko; Furuhata, Kentaro

1995-01-01

The use of three-dimensional replicas created using laserlithography has recently become popular for surgical planning and intraoperative navigation in plastic surgery and oral maxillofacial surgery. In this study, we investigated many clinical applications that we have been involved in regarding the production of three-dimensional replicas. We have also analyzed the features, application classes, and advantages of this method. As a result, clinical applications are categorized into three classes, which are 'three-dimensional shape recognition', 'simulated surgery', and 'template'. The distinct features of three-dimensional replicas are 'direct recognition', 'fast manipulation', and 'free availability'. Meeting the requirements of surgical planning and intraoperative navigation, they have produced satisfactory results in clinical applications. (author)

EMR-related problems at the interface between the crystal field Hamiltonians and the zero-field splitting Hamiltonians

Directory of Open Access Journals (Sweden)

Rudowicz Czesław

2015-07-01

Full Text Available The interface between optical spectroscopy, electron magnetic resonance (EMR, and magnetism of transition ions forms the intricate web of interrelated notions. Major notions are the physical Hamiltonians, which include the crystal field (CF (or equivalently ligand field (LF Hamiltonians, and the effective spin Hamiltonians (SH, which include the zero-field splitting (ZFS Hamiltonians as well as to a certain extent also the notion of magnetic anisotropy (MA. Survey of recent literature has revealed that this interface, denoted CF (LF ↔ SH (ZFS, has become dangerously entangled over the years. The same notion is referred to by three names that are not synonymous: CF (LF, SH (ZFS, and MA. In view of the strong need for systematization of nomenclature aimed at bringing order to the multitude of different Hamiltonians and the associated quantities, we have embarked on this systematization. In this article, we do an overview of our efforts aimed at providing a deeper understanding of the major intricacies occurring at the CF (LF ↔ SH (ZFS interface with the focus on the EMR-related problems for transition ions.

Derivation of Hamiltonians for accelerators

Energy Technology Data Exchange (ETDEWEB)

Symon, K.R.

1997-09-12

In this report various forms of the Hamiltonian for particle motion in an accelerator will be derived. Except where noted, the treatment will apply generally to linear and circular accelerators, storage rings, and beamlines. The generic term accelerator will be used to refer to any of these devices. The author will use the usual accelerator coordinate system, which will be introduced first, along with a list of handy formulas. He then starts from the general Hamiltonian for a particle in an electromagnetic field, using the accelerator coordinate system, with time t as independent variable. He switches to a form more convenient for most purposes using the distance s along the reference orbit as independent variable. In section 2, formulas will be derived for the vector potentials that describe the various lattice components. In sections 3, 4, and 5, special forms of the Hamiltonian will be derived for transverse horizontal and vertical motion, for longitudinal motion, and for synchrobetatron coupling of horizontal and longitudinal motions. Hamiltonians will be expanded to fourth order in the variables.

Synthesis and properties of ZnFe{sub 2}O{sub 4} replica with biological hierarchical structure

Energy Technology Data Exchange (ETDEWEB)

Liu, Hongyan; Guo, Yiping, E-mail: ypguo@sjtu.edu.cn; Zhang, Yangyang; Wu, Fen; Liu, Yun; Zhang, Di, E-mail: zhangdi@sjtu.edu.cn

2013-09-20

Highlights: • ZFO replica with hierarchical structure was synthesized from butterfly wings. • Biotemplate has a significant impact on the properties of ZFO material. • Our method opens up new avenues for the synthesis of spinel ferrites. -- Abstract: ZnFe{sub 2}O{sub 4} replica with biological hierarchical structure was synthesized from Papilio paris by a sol–gel method followed by calcination. The crystallographic structure and morphology of the obtained samples were characterized by X-ray diffraction, field-emission scanning electron microscope, and transmittance electron microscope. The results showed that the hierarchical structures were retained in the ZFO replica of spinel structure. The magnetic behavior of such novel products was measured by a vibrating sample magnetometer. A superparamagnetism-like behavior was observed due to nanostructuration size effects. In addition, the ZFO replica with “quasi-honeycomb-like structure” showed a much higher specific capacitance of 279.4 F g{sup −1} at 10 mV s{sup −1} in comparison with ZFO powder of 137.3 F g{sup −1}, attributing to the significantly increased surface area. These results demonstrated that ZFO replica is a promising candidate for novel magnetic devices and supercapacitors.

Relativistic non-Hamiltonian mechanics

International Nuclear Information System (INIS)

Tarasov, Vasily E.

2010-01-01

Relativistic particle subjected to a general four-force is considered as a nonholonomic system. The nonholonomic constraint in four-dimensional space-time represents the relativistic invariance by the equation for four-velocity u μ u μ + c 2 = 0, where c is the speed of light in vacuum. In the general case, four-forces are non-potential, and the relativistic particle is a non-Hamiltonian system in four-dimensional pseudo-Euclidean space-time. We consider non-Hamiltonian and dissipative systems in relativistic mechanics. Covariant forms of the principle of stationary action and the Hamilton's principle for relativistic mechanics of non-Hamiltonian systems are discussed. The equivalence of these principles is considered for relativistic particles subjected to potential and non-potential forces. We note that the equations of motion which follow from the Hamilton's principle are not equivalent to the equations which follow from the variational principle of stationary action. The Hamilton's principle and the principle of stationary action are not compatible in the case of systems with nonholonomic constraint and the potential forces. The principle of stationary action for relativistic particle subjected to non-potential forces can be used if the Helmholtz conditions are satisfied. The Hamilton's principle and the principle of stationary action are equivalent only for a special class of relativistic non-Hamiltonian systems.

Chromatic roots and hamiltonian paths

DEFF Research Database (Denmark)

Thomassen, Carsten

2000-01-01

We present a new connection between colorings and hamiltonian paths: If the chromatic polynomial of a graph has a noninteger root less than or equal to t(n) = 2/3 + 1/3 (3)root (26 + 6 root (33)) + 1/3 (3)root (26 - 6 root (33)) = 1.29559.... then the graph has no hamiltonian path. This result...

Hamiltonian structure of the Lotka-Volterra equations

Science.gov (United States)

Nutku, Y.

1990-03-01

The Lotka-Volterra equations governing predator-prey relations are shown to admit Hamiltonian structure with respect to a generalized Poisson bracket. These equations provide an example of a system for which the naive criterion for the existence of Hamiltonian structure fails. We show further that there is a three-component generalization of the Lotka-Volterra equations which is a bi-Hamiltonian system.

Boson mapping and the microscopic collective nuclear Hamiltonian

International Nuclear Information System (INIS)

Dobes, J.; Ivanova, S.P.; Dzholos, R.V.; Pedrosa, R.

1990-01-01

Starting with the mapping of the quadrupole collective states in the fermion space onto the boson space, the fermion nuclear problem is transformed into the boson one. The boson images of the bifermion operators and of the fermion Hamiltonian are found. Recurrence relations are used to obtain approximately the norm matrix which appears in the boson-fermion mapping. The resulting boson Hamiltonian contains terms which go beyond the ordinary SU(6) symmetry Hamiltonian of the interacting boson model. Calculations, however, suggest that on the phenomenological level the differences between the mapped Hamiltonian and the SU(6) Hamiltonian are not too important. 18 refs.; 2 figs

On integrable Hamiltonians for higher spin XXZ chain

International Nuclear Information System (INIS)

Bytsko, Andrei G.

2003-01-01

Integrable Hamiltonians for higher spin periodic XXZ chains are constructed in terms of the spin generators; explicit examples for spins up to (3/2) are given. Relations between Hamiltonians for some U q (sl 2 )-symmetric and U(1)-symmetric universal r-matrices are studied; their properties are investigated. A certain modification of the higher spin periodic chain Hamiltonian is shown to be an integrable U q (sl 2 )-symmetric Hamiltonian for an open chain

Replica treatment of the Calogero-Sutherland model

International Nuclear Information System (INIS)

Gangardt, Dimitry M.; Kamenev, Alex

2001-01-01

Employing Forrester-Ha method of Jack polynomials, we derive an integral identity connecting certain N-fold coordinate average of the Calogero-Sutherland model with the n-fold replica integral. Subsequent analytical continuation in n leads to asymptotic expressions for the (static and dynamic) density-density correlation function of the model as well as the Green's function for an arbitrary coupling constant λ

Hamiltonian ABC

NARCIS (Netherlands)

Meeds, E.; Leenders, R.; Welling, M.; Meila, M.; Heskes, T.

2015-01-01

Approximate Bayesian computation (ABC) is a powerful and elegant framework for performing inference in simulation-based models. However, due to the difficulty in scaling likelihood estimates, ABC remains useful for relatively lowdimensional problems. We introduce Hamiltonian ABC (HABC), a set of

Hamiltonian quantum simulation with bounded-strength controls

International Nuclear Information System (INIS)

Bookatz, Adam D; Wocjan, Pawel; Viola, Lorenza

2014-01-01

We propose dynamical control schemes for Hamiltonian simulation in many-body quantum systems that avoid instantaneous control operations and rely solely on realistic bounded-strength control Hamiltonians. Each simulation protocol consists of periodic repetitions of a basic control block, constructed as a modification of an ‘Eulerian decoupling cycle,’ that would otherwise implement a trivial (zero) target Hamiltonian. For an open quantum system coupled to an uncontrollable environment, our approach may be employed to engineer an effective evolution that simulates a target Hamiltonian on the system while suppressing unwanted decoherence to the leading order, thereby allowing for dynamically corrected simulation. We present illustrative applications to both closed- and open-system simulation settings, with emphasis on simulation of non-local (two-body) Hamiltonians using only local (one-body) controls. In particular, we provide simulation schemes applicable to Heisenberg-coupled spin chains exposed to general linear decoherence, and show how to simulate Kitaev's honeycomb lattice Hamiltonian starting from Ising-coupled qubits, as potentially relevant to the dynamical generation of a topologically protected quantum memory. Additional implications for quantum information processing are discussed. (papers)

Mathematical Modeling of Constrained Hamiltonian Systems

NARCIS (Netherlands)

Schaft, A.J. van der; Maschke, B.M.

1995-01-01

Network modelling of unconstrained energy conserving physical systems leads to an intrinsic generalized Hamiltonian formulation of the dynamics. Constrained energy conserving physical systems are directly modelled as implicit Hamiltonian systems with regard to a generalized Dirac structure on the

Gamma-ray dosimetry measurements of the Little Boy replica

International Nuclear Information System (INIS)

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

Lagrangian and Hamiltonian dynamics

CERN Document Server

Mann, Peter

2018-01-01

An introductory textbook exploring the subject of Lagrangian and Hamiltonian dynamics, with a relaxed and self-contained setting. Lagrangian and Hamiltonian dynamics is the continuation of Newton's classical physics into new formalisms, each highlighting novel aspects of mechanics that gradually build in complexity to form the basis for almost all of theoretical physics. Lagrangian and Hamiltonian dynamics also acts as a gateway to more abstract concepts routed in differential geometry and field theories and can be used to introduce these subject areas to newcomers. Journeying in a self-contained manner from the very basics, through the fundamentals and onwards to the cutting edge of the subject, along the way the reader is supported by all the necessary background mathematics, fully worked examples, thoughtful and vibrant illustrations as well as an informal narrative and numerous fresh, modern and inter-disciplinary applications. The book contains some unusual topics for a classical mechanics textbook. Mo...

Calculations of the electronic levels, spin-Hamiltonian parameters and vibrational spectra for the CrCl{sub 3} layered crystals

Energy Technology Data Exchange (ETDEWEB)

Avram, C.N. [Faculty of Physics, West University of Timisoara, Bd. V. Parvan No. 4, 300223 Timisoara (Romania); Gruia, A.S., E-mail: adigruia@yahoo.com [Faculty of Physics, West University of Timisoara, Bd. V. Parvan No. 4, 300223 Timisoara (Romania); Brik, M.G. [College of Sciences, Chongqing University of Posts and Telecommunications, Chongqing 400065 (China); Institute of Physics, University of Tartu, Ravila 14C, Tartu 50411 (Estonia); Institute of Physics, Jan Dlugosz University, Armii Krajowej 13/15, PL-42200 Czestochowa (Poland); Institute of Physics, Polish Academy of Sciences, Al. Lotników 32/46, 02-668 Warsaw (Poland); Barb, A.M. [Faculty of Physics, West University of Timisoara, Bd. V. Parvan No. 4, 300223 Timisoara (Romania)

2015-12-01

Calculations of the Cr{sup 3+} energy levels, spin-Hamiltonian parameters and vibrational spectra for the layered CrCl{sub 3} crystals are reported for the first time. The crystal field parameters and the energy level scheme were calculated in the framework of the Exchange Charge Model of crystal field. The spin-Hamiltonian parameters (zero-field splitting parameter D and g-factors) for Cr{sup 3+} ion in CrCl{sub 3} crystals were obtained using two independent techniques: i) semi-empirical crystal field theory and ii) density functional theory (DFT)-based model. In the first approach, the spin-Hamiltonian parameters were calculated from the perturbation theory method and the complete diagonalization (of energy matrix) method. The infrared (IR) and Raman frequencies were calculated for both experimental and fully optimized geometry of the crystal structure, using CRYSTAL09 software. The obtained results are discussed and compared with the experimental available data.

Relativistic magnetohydrodynamics as a Hamiltonian system

International Nuclear Information System (INIS)

Holm, D.D.; Kupershmidt, A.

1985-01-01

The equations of ideal relativistic magnetohydrodynamics in the laboratory frame form a noncanonical Hamiltonian system with the same Poisson bracket as for the nonrelativistic system, but with dynamical variables and Hamiltonian obtained via a regular deformation of their nonrelativistic counterparts [fr

Noncanonical Hamiltonian mechanics

International Nuclear Information System (INIS)

Litteljohn, R.G.

1986-01-01

Noncanonical variables in Hamiltonian mechanics were first used by Lagrange in 1808. In spite of this, most work in Hamiltonian mechanics has been carried out in canonical variables, up to this day. One reason for this is that noncanonical coordinates are seldom needed for mechanical problems based on Lagrangians of the form L = T - V, where T is the kinetic energy and V is the potential energy. Of course, such Lagrangians arise naturally in celestial mechanics, and as a result they form the paradigms of nineteenth-century mechanics and have become enshrined in all the mechanics textbooks. Certain features of modern problems, however, lead to the use of noncanonical coordinates. Among these are issues of gauge invariance and singular Lagrange a Poisson structures. In addition, certain problems, like the flow of magnetic-field lines in physical space, are naturally formulated in terms of noncanonical coordinates. None of these features is present in the nineteenth-century paradigms of mechanics, but they do arise in problems involving particle motion in the presence of magnetic fields. For example, the motion of a particle in an electromagnetic wave is an important one in plasma physics, but the usual Hamiltonian formulation is gauge dependent. For this problem, noncanonical approaches based on Lagrangians in phase space lead to powerful computational techniques which are gauge invariant. In the limit of strong magnetic fields, particle motion becomes 'guiding-center motion'. Guiding-center motion is also best understood in terms of noncanonical coordinates. Finally the flow of magnetic-field lines through physical space is a Hamiltonian system which is best understood with noncanonical coordinates. No doubt many more systems will arise in the future for which these noncanonical techniques can be applied. (author)

Variational identities and Hamiltonian structures

International Nuclear Information System (INIS)

Ma Wenxiu

2010-01-01

This report is concerned with Hamiltonian structures of classical and super soliton hierarchies. In the classical case, basic tools are variational identities associated with continuous and discrete matrix spectral problems, targeted to soliton equations derived from zero curvature equations over general Lie algebras, both semisimple and non-semisimple. In the super case, a supertrace identity is presented for constructing Hamiltonian structures of super soliton equations associated with Lie superalgebras. We illustrate the general theories by the KdV hierarchy, the Volterra lattice hierarchy, the super AKNS hierarchy, and two hierarchies of dark KdV equations and dark Volterra lattices. The resulting Hamiltonian structures show the commutativity of each hierarchy discussed and thus the existence of infinitely many commuting symmetries and conservation laws.

Evaluation of creep damage development by the replica method; Utvaerdering av krypskadeutveckling med replikmetoden

Energy Technology Data Exchange (ETDEWEB)

Storesund, Jan [Det Norske Veritas AB, Stockholm (Sweden); Roennholm, Markku [Fortum (Sweden)

2002-04-01

Creep damage development in high temperature components can be monitored by the replica method. Damage is classified and an experience based time period for safe operation is recommended where a re-inspection should be conducted. Original recommendations are still commonly used but there are also developed ones are mostly less conservative. A data base of more than 6000 replicas, collected from welded components in Swedish and Finnish power plants, has been evaluated with respect to damage development in the present project. The results are in general in good agreement to the existing developed recommendations for re-inspections. Important factors that should be considered for use of the recommendations are highlighted: Service history, Material, welding and heat treatment, Measure of pressure and temperature, System stresses, Geometrical stress concentrations, stress distributions, Design of components and welds, Creep crack growth, Starts and stops, Extent and performance of the replica method. These factors have been analysed with respect to the evaluated data resulting in comments to the existing recommendations. In addition, recommendations and conditions for a high reliability of the replica method are described. The comments and recommendations can be read in separate sections in the end of the report.

Comparison of pulsed versus continuous oxygen delivery using realistic adult nasal airway replicas

Directory of Open Access Journals (Sweden)

Chen JZ

2017-08-01

Full Text Available John Z Chen,1 Ira M Katz,2 Marine Pichelin,2 Kaixian Zhu,3 Georges Caillibotte,2 Michelle L Noga,4 Warren H Finlay,1 Andrew R Martin1 1Department of Mechanical Engineering, University of Alberta, Edmonton, AB, Canada; 2Medical R&D, Air Liquide Santé International, Centre de Recherche Paris-Saclay, Les Loges-en-Josas, 3Centre Explor!, Air Liquide Healthcare, Gentilly, France; 4Radiology and Diagnostic Imaging, University of Alberta, Edmonton, AB, Canada Background: Portable oxygen concentrators (POCs typically include pulse flow (PF modes to conserve oxygen. The primary aims of this study were to develop a predictive in vitro model for inhaled oxygen delivery using a set of realistic airway replicas, and to compare PF for a commercial POC with steady flow (SF from a compressed oxygen cylinder. Methods: Experiments were carried out using a stationary compressed oxygen cylinder, a POC, and 15 adult nasal airway replicas based on airway geometries derived from medical images. Oxygen delivery via nasal cannula was tested at PF settings of 2.0 and 6.0, and SF rates of 2.0 and 6.0 L/min. A test lung simulated three breathing patterns representative of a chronic obstructive pulmonary disease patient at rest, during exercise, and while asleep. Volume-averaged fraction of inhaled oxygen (FiO2 was calculated by analyzing oxygen concentrations sampled at the exit of each replica and inhalation flow rates over time. POC pulse volumes were also measured using a commercial O2 conserver test system to attempt to predict FiO2 for PF. Results: Relative volume-averaged FiO2 using PF ranged from 68% to 94% of SF values, increasing with breathing frequency and tidal volume. Three of 15 replicas failed to trigger the POC when used with the sleep breathing pattern at the 2.0 setting, and four of 15 replicas failed to trigger at the 6.0 setting. FiO2 values estimated from POC pulse characteristics followed similar trends but were lower than those derived from

Effect of cation nature of zeolite on carbon replicas and their electrochemical capacitance

International Nuclear Information System (INIS)

Zhou, Jin; Li, Wen; Zhang, Zhongshen; Wu, Xiaozhong; Xing, Wei; Zhuo, Shuping

2013-01-01

Graphical abstract: Cation nature of zeolite influences the porosity, surface chemical properties of carbon replicas of zeolite, resulting in different electrochemical capacitance. Highlights: ► The porosity of carbon replica strongly depends on zeolite's effective pore size. ► The surface chemical properties influence by the cation nature of zeolite. ► The N-doping introduces large pseudo-capacitance. ► The HYC800 carbon showed a high capacitance of up to 312 F g −1 in 1 M H 2 SO 4 . ► The prepared carbons show good durability of galvanostatic cycle. -- Abstract: N-doped carbon replicas of zeolite Y are prepared, and the effect of cation nature of zeolite (H + or Na + ) on the carbon replicas is studied. The morphology, structure and surface properties of the carbon materials are investigated by scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD), N 2 adsorption, X-ray photoelectron spectroscopy (XPS) and Fourier transform infrared spectroscopy (FT-IR). The pore regularity, pore parameter and surface chemical properties of the carbons may strongly depend on the cation nature of the zeolite Y. The carbon replicas of zeolite HY (H-form of zeolite Y) possesses higher pore regularity and much larger surface area than those of zeolite NaY (Na-form of zeolite Y), while the latter carbons seem to possess higher carbonization degrees. Electrochemical measurements show a large faradaic capacitance related to the N- or O-containing groups for the prepared carbons. Owing to the large specific surface area, high pore regularity and heteroatom-doping, the HYC800 sample derived from zeolite HY presents very high gravimetric capacitance, up to 312.4 F g −1 in H 2 SO 4 electrolyte, and this carbon can operate at 1.2 V with good retention ratio in the range of 0.25 to 10 A g −1

Almost periodic Hamiltonians: an algebraic approach

International Nuclear Information System (INIS)

Bellissard, J.

1981-07-01

We develop, by analogy with the study of periodic potential, an algebraic theory for almost periodic hamiltonians, leading to a generalized Bloch theorem. This gives rise to results concerning the spectral measures of these operators in terms of those of the corresponding Bloch hamiltonians

Scattering theory for Stark Hamiltonians

International Nuclear Information System (INIS)

Jensen, Arne

1994-01-01

An introduction to the spectral and scattering theory for Schroedinger operators is given. An abstract short range scattering theory is developed. It is applied to perturbations of the Laplacian. Particular attention is paid to the study of Stark Hamiltonians. The main result is an explanation of the discrepancy between the classical and the quantum scattering theory for one-dimensional Stark Hamiltonians. (author). 47 refs

Indirect quantum tomography of quadratic Hamiltonians

Energy Technology Data Exchange (ETDEWEB)

Burgarth, Daniel [Institute for Mathematical Sciences, Imperial College London, London SW7 2PG (United Kingdom); Maruyama, Koji; Nori, Franco, E-mail: daniel@burgarth.de, E-mail: kmaruyama@riken.jp [Advanced Science Institute, RIKEN, Wako-shi, Saitama 351-0198 (Japan)

2011-01-15

A number of many-body problems can be formulated using Hamiltonians that are quadratic in the creation and annihilation operators. Here, we show how such quadratic Hamiltonians can be efficiently estimated indirectly, employing very few resources. We found that almost all the properties of the Hamiltonian are determined by its surface and that these properties can be measured even if the system can only be initialized to a mixed state. Therefore, our method can be applied to various physical models, with important examples including coupled nano-mechanical oscillators, hopping fermions in optical lattices and transverse Ising chains.

Sdg interacting boson hamiltonian in the seniority scheme

Energy Technology Data Exchange (ETDEWEB)

Yoshinaga, N.

1989-03-06

The sdg interacting boson hamiltonian is derived in the seniority scheme. We use the method of Otsuka, Arima and Iachello in order to derive the boson hamiltonian from the fermion hamiltonian. To examine how good is the boson approximation in the zeroth-order, we carry out the exact shell model calculations in a single j-shell. It is found that almost all low-lying levels are reproduced quite well by diagonalizing the sdg interacting boson hamiltonian in the vibrational case. In the deformed case the introduction of g-bosons improves the reproduction of the spectra and of the binding energies which are obtained by diagnoalizing the exact shell model hamiltonian. In particular the sdg interacting boson model reproduces well-developed rotational bands.

sdg Interacting boson hamiltonian in the seniority scheme

Science.gov (United States)

Yoshinaga, N.

1989-03-01

The sdg interacting boson hamiltonian is derived in the seniority scheme. We use the method of Otsuka, Arima and Iachello in order to derive the boson hamiltonian from the fermion hamiltonian. To examine how good is the boson approximation in the zeroth-order, we carry out the exact shell model calculations in a single j-shell. It is found that almost all low-lying levels are reproduced quite well by diagonalizing the sdg interacting boson hamiltonian in the vibrational case. In the deformed case the introduction of g-bosons improves the reproduction of the spectra and of the binding energies which are obtained by diagonalizing the exact shell model hamiltonian. In particular the sdg interacting boson model reproduces well-developed rotational bands.

Dynamical decoupling of unbounded Hamiltonians

Science.gov (United States)

Arenz, Christian; Burgarth, Daniel; Facchi, Paolo; Hillier, Robin

2018-03-01

We investigate the possibility to suppress interactions between a finite dimensional system and an infinite dimensional environment through a fast sequence of unitary kicks on the finite dimensional system. This method, called dynamical decoupling, is known to work for bounded interactions, but physical environments such as bosonic heat baths are usually modeled with unbounded interactions; hence, here, we initiate a systematic study of dynamical decoupling for unbounded operators. We develop a sufficient decoupling criterion for arbitrary Hamiltonians and a necessary decoupling criterion for semibounded Hamiltonians. We give examples for unbounded Hamiltonians where decoupling works and the limiting evolution as well as the convergence speed can be explicitly computed. We show that decoupling does not always work for unbounded interactions and we provide both physically and mathematically motivated examples.

File-based replica management

CERN Document Server

Kunszt, Peter Z; Stockinger, Heinz; Stockinger, Kurt

2005-01-01

Data replication is one of the best known strategies to achieve high levels of availability and fault tolerance, as well as minimal access times for large, distributed user communities using a world-wide Data Grid. In certain scientific application domains, the data volume can reach the order of several petabytes; in these domains, data replication and access optimization play an important role in the manageability and usability of the Grid. In this paper, we present the design and implementation of a replica management Grid middleware that was developed within the EDG project left bracket European Data Grid Project (EDG), http://www.eu-egee.org right bracket and is designed to be extensible so that user communities can adjust its detailed behavior according to their QoS requirements.

Matchings Extend to Hamiltonian Cycles in 5-Cube

Directory of Open Access Journals (Sweden)

Wang Fan

2018-02-01

Full Text Available Ruskey and Savage asked the following question: Does every matching in a hypercube Qn for n ≥ 2 extend to a Hamiltonian cycle of Qn? Fink confirmed that every perfect matching can be extended to a Hamiltonian cycle of Qn, thus solved Kreweras’ conjecture. Also, Fink pointed out that every matching can be extended to a Hamiltonian cycle of Qn for n ∈ {2, 3, 4}. In this paper, we prove that every matching in Q5 can be extended to a Hamiltonian cycle of Q5.

A Replica Detection Scheme Based on the Deviation in Distance Traveled Sliding Window for Wireless Sensor Networks

Directory of Open Access Journals (Sweden)

Alekha Kumar Mishra

2017-01-01

Full Text Available Node replication attack possesses a high level of threat in wireless sensor networks (WSNs and it is severe when the sensors are mobile. A limited number of replica detection schemes in mobile WSNs (MWSNs have been reported till date, where most of them are centralized in nature. The centralized detection schemes use time-location claims and the base station (BS is solely responsible for detecting replica. Therefore, these schemes are prone to single point of failure. There is also additional communication overhead associated with sending time-location claims to the BS. A distributed detection mechanism is always a preferred solution to the above kind of problems due to significantly lower communication overhead than their counterparts. In this paper, we propose a distributed replica detection scheme for MWSNs. In this scheme, the deviation in the distance traveled by a node and its replica is recorded by the observer nodes. Every node is an observer node for some nodes in the network. Observers are responsible for maintaining a sliding window of recent time-distance broadcast of the nodes. A replica is detected by an observer based on the degree of violation computed from the deviations recorded using the time-distance sliding window. The analysis and simulation results show that the proposed scheme is able to achieve higher detection probability compared to distributed replica detection schemes such as Efficient Distributed Detection (EDD and Multi-Time-Location Storage and Diffusion (MTLSD.

Applied research for profilometric testing of the state of interior surfaces in heat exchanger tubes

International Nuclear Information System (INIS)

Gyongyosi, Tiberiu; Panaitescu, Valeriu Nicolae

2009-01-01

Generally, the surface flaws identified at heat exchangers tubing are characteristic for the heat secondary systems, located on the external surfaces of the heat exchanger tubes and are mostly the results of the ageing phenomena in systems operation. The tests performed, with the impressing replicating device confirmed the applicability of the technique, functionality of the device and resulted in replicas on metal support, these being the hard copy of the negative of the test tube surface, allowing the profile measurement. The visual inspection of the replicas on the metallic support gives information about the surface geometry replicated, pointing out the marks, which belong to the same area under observation. The minimum and maximum values for the depth of the channel worked out in the inner test tube wall have been determined by profile graphic measurement on the replicas. The paper presents the structural and functional description of the experimental devices. The first results and some conclusions are also included. Two patent applications were submitted at State Office for Inventions and Trademarks (OSIM) covering the original data to protect royalty: 'The local pit flaws, scratches, incipient micro-cracks replicating device on inner cylindrical surfaces', under no. A/00299/17.04.2008 and 'The annular local flaw, incipient micro-cracks replicating device on inner cylindrical surface' under no. A/00300/17.04.2008

Hamiltonian Approach to 2+1 Dimensional Gravity

Science.gov (United States)

Cantini, L.; Menotti, P.; Seminara, D.

2002-12-01

It is shown that the reduced particle dynamics of 2+1 dimensional gravity in the maximally slicing gauge has hamiltonian form. We give the exact diffeomorphism which transforms the spinning cone metric in the Deser, Jackiw, 't Hooft gauge to the maximally slicing gauge. It is explicitly shown that the boundary term in the action, written in hamiltonian form gives the hamiltonian for the reduced particle dynamics. The quantum mechanical translation of the two particle hamiltonian gives rise to the logarithm of the Laplace-Beltrami operator on a cone whose angular deficit is given by the total energy of the system irrespective of the masses of the particles thus proving at the quantum level a conjecture by 't Hooft on the two particle dynamics.

A Direct Method of Hamiltonian Structure

International Nuclear Information System (INIS)

Li Qi; Chen Dengyuan; Su Shuhua

2011-01-01

A direct method of constructing the Hamiltonian structure of the soliton hierarchy with self-consistent sources is proposed through computing the functional derivative under some constraints. The Hamiltonian functional is related with the conservation densities of the corresponding hierarchy. Three examples and their two reductions are given. (general)

On Distributed Port-Hamiltonian Process Systems

NARCIS (Netherlands)

Lopezlena, Ricardo; Scherpen, Jacquelien M.A.

2004-01-01

In this paper we use the term distributed port-Hamiltonian Process Systems (DPHPS) to refer to the result of merging the theory of distributed Port-Hamiltonian systems (DPHS) with the theory of process systems (PS). Such concept is useful for combining the systematic interconnection of PHS with the

Implementation and performance analysis of the LHCb LFC replica using Oracle streams technology

CERN Document Server

Düllmann, D; Martelli, B; Peco, G; Bonifazzi, F; Da Fonte Perez, E; Baranowski, Z; Vagnoni, V

2007-01-01

The presentation will describe the architecture and the deployment of the LHCb read-only File Catalogue for the LHC Computing Grid (LFC) replica implemented at the Italian INFN National Centre for Telematics and Informatics (CNAF), and evaluate a series of tests on the LFC with replica. The LHCb computing model foresees the replication of the central LFC database in every Tier-1, in order to assure more scalability and fault tolerance to LHCb applications Scientific data intensive applications use a large collection of files for storing data. In particular, as regards the HEP community, data generated by large detectors will be managed and stored using databases. The intensive access to information stored in databases by the Grid computing applications requires a distributed database replication in order to guarantee the scalability and, in case of failure, redundancy. Besides the results of the tests will be an important reference for all the Grid users This talk will describe the replica implementation of L...

A diagrammatic construction of formal E-independent model hamiltonian

International Nuclear Information System (INIS)

Kvasnicka, V.

1977-01-01

A diagrammatic construction of formal E-independent model interaction (i.e., without second-quantization formalism) is suggested. The construction starts from the quasi-degenerate Brillouin-Wigner perturbation theory, in the framework of which an E-dependent model Hamiltonian is simply constructed. Applying the ''E-removing'' procedure to this E-dependent model Hamiltonian, the E-independent formal model Hamiltonian either Hermitian or non-Hermitian can diagrammatically be easily derived. For the formal E-independent model Hamiltonian the separability theorem is proved, which can be profitably used for a rather ''formalistic ''construction of a many-body E-independent model Hamiltonian

Port Hamiltonian modeling of Power Networks

NARCIS (Netherlands)

van Schaik, F.; van der Schaft, Abraham; Scherpen, Jacquelien M.A.; Zonetti, Daniele; Ortega, R

2012-01-01

In this talk a full nonlinear model for the power network in port–Hamiltonian framework is derived to study its stability properties. For this we use the modularity approach i.e., we first derive the models of individual components in power network as port-Hamiltonian systems and then we combine all

Hamiltonian Cycles on Random Eulerian Triangulations

DEFF Research Database (Denmark)

Guitter, E.; Kristjansen, C.; Nielsen, Jakob Langgaard

1998-01-01

. Considering the case n -> 0, this implies that the system of random Eulerian triangulations equipped with Hamiltonian cycles describes a c=-1 matter field coupled to 2D quantum gravity as opposed to the system of usual random triangulations equipped with Hamiltonian cycles which has c=-2. Hence, in this case...

Assemblies of amyloid-β30-36 hexamer and its G33V/L34T mutants by replica-exchange molecular dynamics simulation.

Directory of Open Access Journals (Sweden)

Zhenyu Qian

Full Text Available The aggregation of amyloid-β peptides is associated with the pathogenesis of Alzheimer's disease, in which the 30-36 fragments play an important part as a fiber-forming hydrophobic region. The fibrillar structure of Aβ30-36 has been detected by means of X-ray diffraction, but its oligomeric structural determination, biophysical characterization, and pathological mechanism remain elusive. In this study, we have investigated the structures of Aβ30-36 hexamer as well as its G33V and L34T mutants in explicit water environment using replica-exchange molecular dynamics (REMD simulations. Our results show that the wild-type (WT Aβ30-36 hexamer has a preference to form β-barrel and bilayer β-sheet conformations, while the G33V or L34T mutation disrupts the β-barrel structures: the G33V mutant is homogenized to adopt β-sheet-rich bilayers, and the structures of L34T mutant on the contrary get more diverse. The hydrophobic interaction plays a critical role in the formation and stability of oligomeric assemblies among all the three systems. In addition, the substitution of G33 by V reduces the β-sheet content in the most populated conformations of Aβ30-36 oligomers through a steric effect. The L34T mutation disturbs the interpeptide hydrogen bonding network, and results in the increased coil content and morphological diversity. Our REMD runs provide structural details of WT and G33V/L34T mutant Aβ30-36 oligomers, and molecular insight into the aggregation mechanism, which will be helpful for designing novel inhibitors or amyloid-based materials.

Incomplete Dirac reduction of constrained Hamiltonian systems

Energy Technology Data Exchange (ETDEWEB)

Chandre, C., E-mail: chandre@cpt.univ-mrs.fr

2015-10-15

First-class constraints constitute a potential obstacle to the computation of a Poisson bracket in Dirac’s theory of constrained Hamiltonian systems. Using the pseudoinverse instead of the inverse of the matrix defined by the Poisson brackets between the constraints, we show that a Dirac–Poisson bracket can be constructed, even if it corresponds to an incomplete reduction of the original Hamiltonian system. The uniqueness of Dirac brackets is discussed. The relevance of this procedure for infinite dimensional Hamiltonian systems is exemplified.

Spectral and resonance properties of the Smilansky Hamiltonian

Energy Technology Data Exchange (ETDEWEB)

Exner, Pavel [Department of Theoretical Physics, Nuclear Physics Institute, Czech Academy of Sciences, 25068 Řež near Prague (Czech Republic); Doppler Institute for Mathematical Physics and Applied Mathematics, Czech Technical University, Břehová 7, 11519 Prague (Czech Republic); Lotoreichik, Vladimir [Department of Theoretical Physics, Nuclear Physics Institute, Czech Academy of Sciences, 25068 Řež near Prague (Czech Republic); Tater, Miloš, E-mail: tater@ujf.cas.cz [Department of Theoretical Physics, Nuclear Physics Institute, Czech Academy of Sciences, 25068 Řež near Prague (Czech Republic)

2017-02-26

We analyze the Hamiltonian proposed by Smilansky to describe irreversible dynamics in quantum graphs and studied further by Solomyak and others. We derive a weak-coupling asymptotics of the ground state and add new insights by finding the discrete spectrum numerically in the subcritical case. Furthermore, we show that the model then has a rich resonance structure. - Highlights: • We derive conditions on bound states and on resonances of the Smilansky Hamiltonian. • Using these conditions we find numerically discrete spectrum and resonances of this Hamiltonian. • Our numerical tests confirm known properties of the Hamiltonian and allow us to conjecture new ones.

Optimal adaptive control for quantum metrology with time-dependent Hamiltonians

Science.gov (United States)

Pang, Shengshi; Jordan, Andrew N.

2017-01-01

Quantum metrology has been studied for a wide range of systems with time-independent Hamiltonians. For systems with time-dependent Hamiltonians, however, due to the complexity of dynamics, little has been known about quantum metrology. Here we investigate quantum metrology with time-dependent Hamiltonians to bridge this gap. We obtain the optimal quantum Fisher information for parameters in time-dependent Hamiltonians, and show proper Hamiltonian control is generally necessary to optimize the Fisher information. We derive the optimal Hamiltonian control, which is generally adaptive, and the measurement scheme to attain the optimal Fisher information. In a minimal example of a qubit in a rotating magnetic field, we find a surprising result that the fundamental limit of T2 time scaling of quantum Fisher information can be broken with time-dependent Hamiltonians, which reaches T4 in estimating the rotation frequency of the field. We conclude by considering level crossings in the derivatives of the Hamiltonians, and point out additional control is necessary for that case. PMID:28276428

Optimal adaptive control for quantum metrology with time-dependent Hamiltonians.

Science.gov (United States)

Pang, Shengshi; Jordan, Andrew N

2017-03-09

Quantum metrology has been studied for a wide range of systems with time-independent Hamiltonians. For systems with time-dependent Hamiltonians, however, due to the complexity of dynamics, little has been known about quantum metrology. Here we investigate quantum metrology with time-dependent Hamiltonians to bridge this gap. We obtain the optimal quantum Fisher information for parameters in time-dependent Hamiltonians, and show proper Hamiltonian control is generally necessary to optimize the Fisher information. We derive the optimal Hamiltonian control, which is generally adaptive, and the measurement scheme to attain the optimal Fisher information. In a minimal example of a qubit in a rotating magnetic field, we find a surprising result that the fundamental limit of T 2 time scaling of quantum Fisher information can be broken with time-dependent Hamiltonians, which reaches T 4 in estimating the rotation frequency of the field. We conclude by considering level crossings in the derivatives of the Hamiltonians, and point out additional control is necessary for that case.

Hamiltonian representation of divergence-free fields

International Nuclear Information System (INIS)

Boozer, A.H.

1984-11-01

Globally divergence-free fields, such as the magnetic field and the vorticity, can be described by a two degree of freedom Hamiltonian. The Hamiltonian function provides a complete topological description of the field lines. The formulation also separates the dissipative and inertial time scale evolution of the magnetic and the vorticity fields

Hamiltonian structures of some non-linear evolution equations

International Nuclear Information System (INIS)

Tu, G.Z.

1983-06-01

The Hamiltonian structure of the O(2,1) non-linear sigma model, generalized AKNS equations, are discussed. By reducing the O(2,1) non-linear sigma model to its Hamiltonian form some new conservation laws are derived. A new hierarchy of non-linear evolution equations is proposed and shown to be generalized Hamiltonian equations with an infinite number of conservation laws. (author)

Numerical determination of the magnetic field line Hamiltonian

International Nuclear Information System (INIS)

Kuo-Petravic, G.; Boozer, A.H.

1986-03-01

The structure of a magnetic field is determined by a one-degree of freedom, time-dependent Hamiltonian. This Hamiltonian is evaluated for a given field in a perturbed action-angle form. The location and the size of magnetic islands in the given field are determined from Hamiltonian perturbation theory and from an ordinary Poincare plot of the field line trajectories

Replica Node Detection Using Enhanced Single Hop Detection with Clonal Selection Algorithm in Mobile Wireless Sensor Networks

Directory of Open Access Journals (Sweden)

L. S. Sindhuja

2016-01-01

Full Text Available Security of Mobile Wireless Sensor Networks is a vital challenge as the sensor nodes are deployed in unattended environment and they are prone to various attacks. One among them is the node replication attack. In this, the physically insecure nodes are acquired by the adversary to clone them by having the same identity of the captured node, and the adversary deploys an unpredictable number of replicas throughout the network. Hence replica node detection is an important challenge in Mobile Wireless Sensor Networks. Various replica node detection techniques have been proposed to detect these replica nodes. These methods incur control overheads and the detection accuracy is low when the replica is selected as a witness node. This paper proposes to solve these issues by enhancing the Single Hop Detection (SHD method using the Clonal Selection algorithm to detect the clones by selecting the appropriate witness nodes. The advantages of the proposed method include (i increase in the detection ratio, (ii decrease in the control overhead, and (iii increase in throughput. The performance of the proposed work is measured using detection ratio, false detection ratio, packet delivery ratio, average delay, control overheads, and throughput. The implementation is done using ns-2 to exhibit the actuality of the proposed work.

Hamiltonian analysis of transverse dynamics in axisymmetric rf photoinjectors

International Nuclear Information System (INIS)

Wang, C.-x.

2006-01-01

A general Hamiltonian that governs the beam dynamics in an rf photoinjector is derived from first principles. With proper choice of coordinates, the resulting Hamiltonian has a simple and familiar form, while taking into account the rapid acceleration, rf focusing, magnetic focusing, and space-charge forces. From the linear Hamiltonian, beam-envelope evolution is readily obtained, which better illuminates the theory of emittance compensation. Preliminary results on the third-order nonlinear Hamiltonian will be given as well.

Frustration-free Hamiltonians supporting Majorana zero edge modes

International Nuclear Information System (INIS)

Jevtic, Sania; Barnett, Ryan

2017-01-01

A one-dimensional fermionic system, such as a superconducting wire, may host Majorana zero-energy edge modes (MZMs) at its edges when it is in the topological phase. MZMs provide a path to realising fault-tolerant quantum computation, and so are the focus of intense experimental and theoretical studies. However, given a Hamiltonian, determining whether MZMs exist is a daunting task as it relies on knowing the spectral properties of the Hamiltonian in the thermodynamic limit. The Kitaev chain is a paradigmatic non-interacting model that supports MZMs and the Hamiltonian can be fully diagonalised. However, for interacting models, the situation is far more complex. Here we consider a different classification of models, namely, ones with frustration-free Hamiltonians. Within this class of models, interacting and non-interacting systems are treated on an equal footing, and we identify exactly which Hamiltonians can realise MZMs. (paper)

Frustration-free Hamiltonians supporting Majorana zero edge modes

Science.gov (United States)

Jevtic, Sania; Barnett, Ryan

2017-10-01

A one-dimensional fermionic system, such as a superconducting wire, may host Majorana zero-energy edge modes (MZMs) at its edges when it is in the topological phase. MZMs provide a path to realising fault-tolerant quantum computation, and so are the focus of intense experimental and theoretical studies. However, given a Hamiltonian, determining whether MZMs exist is a daunting task as it relies on knowing the spectral properties of the Hamiltonian in the thermodynamic limit. The Kitaev chain is a paradigmatic non-interacting model that supports MZMs and the Hamiltonian can be fully diagonalised. However, for interacting models, the situation is far more complex. Here we consider a different classification of models, namely, ones with frustration-free Hamiltonians. Within this class of models, interacting and non-interacting systems are treated on an equal footing, and we identify exactly which Hamiltonians can realise MZMs.

Zeolite-templated carbon replica: a grand canonical Monte-Carlo simulation study

International Nuclear Information System (INIS)

Roussel, Th.; Pellenq, R.J.M.; Bichara, Ch.; Gadiou, R.; Didion, A.; Vix-Guterl, C.; Gaslain, F.; Parmentier, J.; Valtchev, V.; Patarin, J.

2005-01-01

Microporous carbon materials are interesting for several applications such as hydrogen storage, catalysis or electrical double layer capacitors. The development of the negative templating method to obtain carbon replicas from ordered templates, has lead to the synthesis of several new materials which have interesting textural properties, attractive for energy storage. Among the possible templates, zeolites can be used to obtain highly microporous carbon materials. Nevertheless, the phenomena involved in the replica synthesis are not fully understood, and the relationships between the structure of the template, the carbon precursor and the resulting carbon material need to be investigated. Experimental results for carbon zeolite-templated nano-structures can be found in a series of papers; see for instance ref. [1] in which Wang et al describe a route to ultra-small Single Wall Carbon Nano-tubes (SWNTs) using the porosity of zeolite AlPO 4 -5. After matrix removal, the resulting structure is a free-standing bundle of 4 Angstroms large nano-tubes. However, it is highly desirable to obtain an ordered porous carbon structure that forms a real 3D network to be used for instance in gas storage applications. Carbon replica of faujasite and EMT zeolites can have these properties since these zeolites have a 3D porous network made of 10 Angstroms cages connected to each other through 7 Angstroms large windows. The first step of this study was to generate a theoretical carbon replica structure of various zeolites (faujasite, EMT, AlPO 4 -5, silicalite). For this purpose, we used the Grand Canonical Monte-Carlo (GCMC) technique in which the carbon-carbon interactions were described within the frame of a newly developed Tight Binding approach and the carbon-zeolite interactions assumed to be characteristic of physisorption. The intrinsic stability of the subsequent carbon nano-structures was then investigated after mimicking the removal of the inorganic phase by switching

Quantum entangling power of adiabatically connected Hamiltonians

International Nuclear Information System (INIS)

Hamma, Alioscia; Zanardi, Paolo

2004-01-01

The space of quantum Hamiltonians has a natural partition in classes of operators that can be adiabatically deformed into each other. We consider parametric families of Hamiltonians acting on a bipartite quantum state space. When the different Hamiltonians in the family fall in the same adiabatic class, one can manipulate entanglement by moving through energy eigenstates corresponding to different values of the control parameters. We introduce an associated notion of adiabatic entangling power. This novel measure is analyzed for general dxd quantum systems, and specific two-qubit examples are studied

A parcel formulation for Hamiltonian layer models

NARCIS (Netherlands)

Bokhove, Onno; Oliver, M.

Starting from the three-dimensional hydrostatic primitive equations, we derive Hamiltonian N-layer models with isentropic tropospheric and isentropic or isothermal stratospheric layers. Our construction employs a new parcel Hamiltonian formulation which describes the fluid as a continuum of

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

International Nuclear Information System (INIS)

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

Systematic expansion in the order parameter for replica theory of the dynamical glass transition.

Science.gov (United States)

Jacquin, Hugo; Zamponi, Francesco

2013-03-28

It has been shown recently that predictions from mode-coupling theory for the glass transition of hard-spheres become increasingly bad when dimensionality increases, whereas replica theory predicts a correct scaling. Nevertheless if one focuses on the regime around the dynamical transition in three dimensions, mode-coupling results are far more convincing than replica theory predictions. It seems thus necessary to reconcile the two theoretic approaches in order to obtain a theory that interpolates between low-dimensional, mode-coupling results, and "mean-field" results from replica theory. Even though quantitative results for the dynamical transition issued from replica theory are not accurate in low dimensions, two different approximation schemes--small cage expansion and replicated hyper-netted-chain (RHNC)--provide the correct qualitative picture for the transition, namely, a discontinuous jump of a static order parameter from zero to a finite value. The purpose of this work is to develop a systematic expansion around the RHNC result in powers of the static order parameter, and to calculate the first correction in this expansion. Interestingly, this correction involves the static three-body correlations of the liquid. More importantly, we separately demonstrate that higher order terms in the expansion are quantitatively relevant at the transition, and that the usual mode-coupling kernel, involving two-body direct correlation functions of the liquid, cannot be recovered from static computations.

Effective Hamiltonians in quantum physics: resonances and geometric phase

International Nuclear Information System (INIS)

Rau, A R P; Uskov, D

2006-01-01

Effective Hamiltonians are often used in quantum physics, both in time-dependent and time-independent contexts. Analogies are drawn between the two usages, the discussion framed particularly for the geometric phase of a time-dependent Hamiltonian and for resonances as stationary states of a time-independent Hamiltonian

A generalized AKNS hierarchy and its bi-Hamiltonian structures

International Nuclear Information System (INIS)

Xia Tiecheng; You Fucai; Chen Dengyuan

2005-01-01

First we construct a new isospectral problem with 8 potentials in the present paper. And then a new Lax pair is presented. By making use of Tu scheme, a class of new soliton hierarchy of equations is derived, which is integrable in the sense of Liouville and possesses bi-Hamiltonian structures. After making some reductions, the well-known AKNS hierarchy and other hierarchies of evolution equations are obtained. Finally, in order to illustrate that soliton hierarchy obtained in the paper possesses bi-Hamiltonian structures exactly, we prove that the linear combination of two-Hamiltonian operators admitted are also a Hamiltonian operator constantly. We point out that two Hamiltonian operators obtained of the system are directly derived from a recurrence relations, not from a recurrence operator

Gravitational surface Hamiltonian and entropy quantization

Directory of Open Access Journals (Sweden)

Ashish Bakshi

2017-02-01

Full Text Available The surface Hamiltonian corresponding to the surface part of a gravitational action has xp structure where p is conjugate momentum of x. Moreover, it leads to TS on the horizon of a black hole. Here T and S are temperature and entropy of the horizon. Imposing the hermiticity condition we quantize this Hamiltonian. This leads to an equidistant spectrum of its eigenvalues. Using this we show that the entropy of the horizon is quantized. This analysis holds for any order of Lanczos–Lovelock gravity. For general relativity, the area spectrum is consistent with Bekenstein's observation. This provides a more robust confirmation of this earlier result as the calculation is based on the direct quantization of the Hamiltonian in the sense of usual quantum mechanics.

First principles of Hamiltonian medicine.

Science.gov (United States)

Crespi, Bernard; Foster, Kevin; Úbeda, Francisco

2014-05-19

We introduce the field of Hamiltonian medicine, which centres on the roles of genetic relatedness in human health and disease. Hamiltonian medicine represents the application of basic social-evolution theory, for interactions involving kinship, to core issues in medicine such as pathogens, cancer, optimal growth and mental illness. It encompasses three domains, which involve conflict and cooperation between: (i) microbes or cancer cells, within humans, (ii) genes expressed in humans, (iii) human individuals. A set of six core principles, based on these domains and their interfaces, serves to conceptually organize the field, and contextualize illustrative examples. The primary usefulness of Hamiltonian medicine is that, like Darwinian medicine more generally, it provides novel insights into what data will be productive to collect, to address important clinical and public health problems. Our synthesis of this nascent field is intended predominantly for evolutionary and behavioural biologists who aspire to address questions directly relevant to human health and disease.

Biosynthesis of cathodoluminescent zinc oxide replicas using butterfly (Papilio paris) wing scales as templates

International Nuclear Information System (INIS)

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

2009-01-01

Papilio paris butterflies have an iridescent blue color patch on their hind wings which is visible over a wide viewing angle. Optical and scanning electron microscopy observations of scales from the wings show that the blue color scales have very different microstructure to the matt black ones which also populate the wings. Scanning electron micrographs of the blue scales show that their surfaces comprise a regular two-dimensional array of concavities. By contrast the matt black scales have fine, sponge-like structure, between the ridges and the cross ribs in the scales. Using both types of scale as bio-templates, we obtain zinc oxide (ZnO) replicas of the microstructures of the original scales. Room temperature (T = 300 K) cathodoluminescence spectra of these ZnO replicas have also been studied. Both spectra show a similar sharp near-band-edge emission, but have different green emission, which we associate with the different microstructures of the ZnO replicas

Biosynthesis of cathodoluminescent zinc oxide replicas using butterfly (Papilio paris) wing scales as templates

Energy Technology Data Exchange (ETDEWEB)

Zhang Wang [State Key Lab of Metal Matrix Composites, Shanghai Jiao Tong University, 200240, Shanghai (China); Zhang Di [State Key Lab of Metal Matrix Composites, Shanghai Jiao Tong University, 200240, Shanghai (China)], E-mail: zhangdi@sjtu.edu.cn; Fan Tongxiang; Ding Jian; Gu Jiajun [State Key Lab of Metal Matrix Composites, Shanghai Jiao Tong University, 200240, Shanghai (China); Guo Qixin; Ogawa, Hiroshi [Department of Electrical and Electronic Engineering, Saga University, Saga 840-8502 (Japan)

2009-01-01

Papilio paris butterflies have an iridescent blue color patch on their hind wings which is visible over a wide viewing angle. Optical and scanning electron microscopy observations of scales from the wings show that the blue color scales have very different microstructure to the matt black ones which also populate the wings. Scanning electron micrographs of the blue scales show that their surfaces comprise a regular two-dimensional array of concavities. By contrast the matt black scales have fine, sponge-like structure, between the ridges and the cross ribs in the scales. Using both types of scale as bio-templates, we obtain zinc oxide (ZnO) replicas of the microstructures of the original scales. Room temperature (T = 300 K) cathodoluminescence spectra of these ZnO replicas have also been studied. Both spectra show a similar sharp near-band-edge emission, but have different green emission, which we associate with the different microstructures of the ZnO replicas.

Quantum Statistical Operator and Classically Chaotic Hamiltonian ...

African Journals Online (AJOL)

Quantum Statistical Operator and Classically Chaotic Hamiltonian System. ... Journal of the Nigerian Association of Mathematical Physics ... In a Hamiltonian system von Neumann Statistical Operator is used to tease out the quantum consequence of (classical) chaos engendered by the nonlinear coupling of system to its ...

Model Hamiltonian Calculations of the Nonlinear Polarizabilities of Conjugated Molecules.

Science.gov (United States)

Risser, Steven Michael

This dissertation advances the theoretical knowledge of the nonlinear polarizabilities of conjugated molecules. The unifying feature of these molecules is an extended delocalized pi electron structure. The pi electrons dominate the electronic properties of the molecules, allowing prediction of molecular properties based on the treatment of just the pi electrons. Two separate pi electron Hamiltonians are used in the research. The principal Hamiltonian used is the non-interacting single-particle Huckel Hamiltonian, which replaces the Coulomb interaction among the pi electrons with a mean field interaction. The simplification allows for exact solution of the Hamiltonian for large molecules. The second Hamiltonian used for this research is the interacting multi-particle Pariser-Parr-Pople (PPP) Hamiltonian, which retains explicit Coulomb interactions. This limits exact solutions to molecules containing at most eight electrons. The molecular properties being investigated are the linear polarizability, and the second and third order hyperpolarizabilities. The hyperpolarizabilities determine the nonlinear optical response of materials. These molecular parameters are determined by two independent approaches. The results from the Huckel Hamiltonian are obtained through first, second and third order perturbation theory. The results from the PPP Hamiltonian are obtained by including the applied field directly in the Hamiltonian and determining the ground state energy at a series of field strengths. By fitting the energy to a polynomial in field strength, the polarizability and hyperpolarizabilities are determined. The Huckel Hamiltonian is used to calculate the third order hyperpolarizability of polyenes. These calculations were the first to show the average hyperpolarizability of the polyenes to be positive, and also to show the saturation of the hyperpolarizability. Comparison of these Huckel results to those from the PPP Hamiltonian shows the lack of explicit Coulomb

Generalized Hubbard Hamiltonian: renormalization group approach

International Nuclear Information System (INIS)

Cannas, S.A.; Tamarit, F.A.; Tsallis, C.

1991-01-01

We study a generalized Hubbard Hamiltonian which is closed within the framework of a Quantum Real Space Renormalization Group, which replaces the d-dimensional hypercubic lattice by a diamond-like lattice. The phase diagram of the generalized Hubbard Hamiltonian is analyzed for the half-filled band case in d = 2 and d = 3. Some evidence for superconductivity is presented. (author). 44 refs., 12 figs., 2 tabs

Local Hamiltonians for maximally multipartite-entangled states

Science.gov (United States)

Facchi, P.; Florio, G.; Pascazio, S.; Pepe, F.

2010-10-01

We study the conditions for obtaining maximally multipartite-entangled states (MMESs) as nondegenerate eigenstates of Hamiltonians that involve only short-range interactions. We investigate small-size systems (with a number of qubits ranging from 3 to 5) and show some example Hamiltonians with MMESs as eigenstates.

Local Hamiltonians for maximally multipartite-entangled states

International Nuclear Information System (INIS)

Facchi, P.; Florio, G.; Pascazio, S.; Pepe, F.

2010-01-01

We study the conditions for obtaining maximally multipartite-entangled states (MMESs) as nondegenerate eigenstates of Hamiltonians that involve only short-range interactions. We investigate small-size systems (with a number of qubits ranging from 3 to 5) and show some example Hamiltonians with MMESs as eigenstates.

Greenberger-Horne-Zeilinger States and Few-Body Hamiltonians

Science.gov (United States)

Facchi, Paolo; Florio, Giuseppe; Pascazio, Saverio; Pepe, Francesco V.

2011-12-01

The generation of Greenberger-Horne-Zeilinger (GHZ) states is a crucial problem in quantum information. We derive general conditions for obtaining GHZ states as eigenstates of a Hamiltonian. We find that a necessary condition for an n-qubit GHZ state to be a nondegenerate eigenstate of a Hamiltonian is the presence of m-qubit couplings with m≥[(n+1)/2]. Moreover, we introduce a Hamiltonian with a GHZ eigenstate and derive sufficient conditions for the removal of the degeneracy.

Greenberger-Horne-Zeilinger states and few-body Hamiltonians.

Science.gov (United States)

Facchi, Paolo; Florio, Giuseppe; Pascazio, Saverio; Pepe, Francesco V

2011-12-23

The generation of Greenberger-Horne-Zeilinger (GHZ) states is a crucial problem in quantum information. We derive general conditions for obtaining GHZ states as eigenstates of a Hamiltonian. We find that a necessary condition for an n-qubit GHZ state to be a nondegenerate eigenstate of a Hamiltonian is the presence of m-qubit couplings with m≥[(n+1)/2]. Moreover, we introduce a Hamiltonian with a GHZ eigenstate and derive sufficient conditions for the removal of the degeneracy.

Effective Hamiltonian for travelling discrete breathers

Science.gov (United States)

MacKay, Robert S.; Sepulchre, Jacques-Alexandre

2002-05-01

Hamiltonian chains of oscillators in general probably do not sustain exact travelling discrete breathers. However solutions which look like moving discrete breathers for some time are not difficult to observe in numerics. In this paper we propose an abstract framework for the description of approximate travelling discrete breathers in Hamiltonian chains of oscillators. The method is based on the construction of an effective Hamiltonian enabling one to describe the dynamics of the translation degree of freedom of moving breathers. Error estimate on the approximate dynamics is also studied. The concept of the Peierls-Nabarro barrier can be made clear in this framework. We illustrate the method with two simple examples, namely the Salerno model which interpolates between the Ablowitz-Ladik lattice and the discrete nonlinear Schrödinger system, and the Fermi-Pasta-Ulam chain.

Complex Hamiltonian Dynamics

CERN Document Server

Bountis, Tassos

2012-01-01

This book introduces and explores modern developments in the well established field of Hamiltonian dynamical systems. It focuses on high degree-of-freedom systems and the transitional regimes between regular and chaotic motion. The role of nonlinear normal modes is highlighted and the importance of low-dimensional tori in the resolution of the famous FPU paradox is emphasized. Novel powerful numerical methods are used to study localization phenomena and distinguish order from strongly and weakly chaotic regimes. The emerging hierarchy of complex structures in such regimes gives rise to particularly long-lived patterns and phenomena called quasi-stationary states, which are explored in particular in the concrete setting of one-dimensional Hamiltonian lattices and physical applications in condensed matter systems.  The self-contained and pedagogical approach is blended with a unique balance between mathematical rigor, physics insights and concrete applications. End of chapter exercises and (more demanding) res...

Invariant metrics for Hamiltonian systems

International Nuclear Information System (INIS)

Rangarajan, G.; Dragt, A.J.; Neri, F.

1991-05-01

In this paper, invariant metrics are constructed for Hamiltonian systems. These metrics give rise to norms on the space of homeogeneous polynomials of phase-space variables. For an accelerator lattice described by a Hamiltonian, these norms characterize the nonlinear content of the lattice. Therefore, the performance of the lattice can be improved by minimizing the norm as a function of parameters describing the beam-line elements in the lattice. A four-fold increase in the dynamic aperture of a model FODO cell is obtained using this procedure. 7 refs

Approximate symmetries of Hamiltonians

Science.gov (United States)

Chubb, Christopher T.; Flammia, Steven T.

2017-08-01

We explore the relationship between approximate symmetries of a gapped Hamiltonian and the structure of its ground space. We start by considering approximate symmetry operators, defined as unitary operators whose commutators with the Hamiltonian have norms that are sufficiently small. We show that when approximate symmetry operators can be restricted to the ground space while approximately preserving certain mutual commutation relations. We generalize the Stone-von Neumann theorem to matrices that approximately satisfy the canonical (Heisenberg-Weyl-type) commutation relations and use this to show that approximate symmetry operators can certify the degeneracy of the ground space even though they only approximately form a group. Importantly, the notions of "approximate" and "small" are all independent of the dimension of the ambient Hilbert space and depend only on the degeneracy in the ground space. Our analysis additionally holds for any gapped band of sufficiently small width in the excited spectrum of the Hamiltonian, and we discuss applications of these ideas to topological quantum phases of matter and topological quantum error correcting codes. Finally, in our analysis, we also provide an exponential improvement upon bounds concerning the existence of shared approximate eigenvectors of approximately commuting operators under an added normality constraint, which may be of independent interest.

Momentum and hamiltonian in complex action theory

DEFF Research Database (Denmark)

Nagao, Keiichi; Nielsen, Holger Frits Bech

2012-01-01

$-parametrized wave function, which is a solution to an eigenvalue problem of a momentum operator $\\hat{p}$, in FPI with a starting Lagrangian. Solving the eigenvalue problem, we derive the momentum and Hamiltonian. Oppositely, starting from the Hamiltonian we derive the Lagrangian in FPI, and we are led...

Quantum-mechanical theory for electronic-vibrational-rotational energy transfer in atom--diatom collisions: Analysis of the Hamiltonian

International Nuclear Information System (INIS)

Bellum, J.C.; McGuire, P.

1983-01-01

We investigate forms of the molecular system Hamiltonian valid for rigorous quantum-mechanical treatments of inelastic atom--diatom collisions characterized by exchange of energy between electronic, vibrational, and rotational degrees of freedom. We analyze this Hamiltonian in terms of various choices of independent coordinates which unambiguously specify the electronic and nuclear positions in the context of space-fixed and body-fixed reference frames. In particular we derive forms of the Hamiltonian in the context of the following four sets of independent coordinates: (1) a so-called space-fixed set, in which both electronic and nuclear positions are relative to the space-fixed frame; (2) a so-called mixed set, in which nuclear positions are relative to the body-fixed frame while electronic positions are relative to the space-fixed frame; (3) a so-called body-fixed set, in which both electronic and nuclear positions are relative to the body-fixed frame; and (4) another mixed set, in which nuclear positions are relative to the space-fixed frame while electronic positions are relative to the body-fixed frame. Based on practical considerations in accounting for electronic structure and nonadiabatic coupling of electronic states of the collision complex we find the forms of the Hamiltonian in the context of coordinate sets (3) and (4) above to be most appropriate, respectively, for body-fixed and space-fixed treatments of nuclear dynamics in collisional transfer of electronic, vibrational, and rotational energies

Diffeomorphism invariance in the Hamiltonian formulation of General Relativity

International Nuclear Information System (INIS)

Kiriushcheva, N.; Kuzmin, S.V.; Racknor, C.; Valluri, S.R.

2008-01-01

It is shown that when the Einstein-Hilbert Lagrangian is considered without any non-covariant modifications or change of variables, its Hamiltonian formulation leads to results consistent with principles of General Relativity. The first-class constraints of such a Hamiltonian formulation, with the metric tensor taken as a canonical variable, allow one to derive the generator of gauge transformations, which directly leads to diffeomorphism invariance. The given Hamiltonian formulation preserves general covariance of the transformations derivable from it. This characteristic should be used as the crucial consistency requirement that must be met by any Hamiltonian formulation of General Relativity

An approach for obtaining integrable Hamiltonians from Poisson-commuting polynomial families

Science.gov (United States)

Leyvraz, F.

2017-07-01

We discuss a general approach permitting the identification of a broad class of sets of Poisson-commuting Hamiltonians, which are integrable in the sense of Liouville. It is shown that all such Hamiltonians can be solved explicitly by a separation of variables ansatz. The method leads in particular to a proof that the so-called "goldfish" Hamiltonian is maximally superintegrable and leads to an elementary identification of a full set of integrals of motion. The Hamiltonians in involution with the "goldfish" Hamiltonian are also explicitly integrated. New integrable Hamiltonians are identified, among which some have the property of being isochronous, that is, all their orbits have the same period. Finally, a peculiar structure is identified in the Poisson brackets between the elementary symmetric functions and the set of Hamiltonians commuting with the "goldfish" Hamiltonian: these can be expressed as products between elementary symmetric functions and Hamiltonians. The structure displays an invariance property with respect to one element and has both a symmetry and a closure property. The meaning of this structure is not altogether clear to the author, but it turns out to be a powerful tool.

Empirical Hamiltonians

International Nuclear Information System (INIS)

Peggs, S.; Talman, R.

1987-01-01

As proton accelerators get larger, and include more magnets, the conventional tracking programs which simulate them run slower. The purpose of this paper is to describe a method, still under development, in which element-by-element tracking around one turn is replaced by a single man, which can be processed far faster. It is assumed for this method that a conventional program exists which can perform faithful tracking in the lattice under study for some hundreds of turns, with all lattice parameters held constant. An empirical map is then generated by comparison with the tracking program. A procedure has been outlined for determining an empirical Hamiltonian, which can represent motion through many nonlinear kicks, by taking data from a conventional tracking program. Though derived by an approximate method this Hamiltonian is analytic in form and can be subjected to further analysis of varying degrees of mathematical rigor. Even though the empirical procedure has only been described in one transverse dimension, there is good reason to hope that it can be extended to include two transverse dimensions, so that it can become a more practical tool in realistic cases

Effective hamiltonian within the microscopic unitary nuclear model

International Nuclear Information System (INIS)

Avramenko, V.I.; Blokhin, A.L.

1989-01-01

Within the microscopic version of the unitary collective model with the horizontal mixing the effective Hamiltonian for 18 O and 18 Ne nuclei is constructed. The algebraic structure of the Hamiltonian is compared to the familiar phenomenological ones with the SU(3)-mixing terms which describe the coupled rotational and vibrational spectra. The Hamiltonian, including central nuclear and Coulomb interaction, is diagonalized on the basis of three SU(3) irreducible representations with two orbital symmetries. 32 refs.; 2 figs.; 4 tabs

Homotopical Dynamics IV: Hopf invariants and hamiltonian flows

OpenAIRE

Cornea, Octavian

2001-01-01

In a non-compact context the first natural step in the search for periodic orbits of a hamiltonian flow is to detect bounded ones. In this paper we show that, in a non-compact setting, certain algebraic topological constraints imposed to a gradient flow of the hamiltonian function $f$ imply the existence of bounded orbits for the hamiltonian flow of $f$. Once the existence of bounded orbits is established, under favorable circumstances, application of the $C^{1}$-closing lemma leads to period...

Effective magnetic Hamiltonians

Czech Academy of Sciences Publication Activity Database

Drchal, Václav; Kudrnovský, Josef; Turek, I.

2013-01-01

Roč. 26, č. 5 (2013), s. 1997-2000 ISSN 1557-1939 R&D Projects: GA ČR GA202/09/0775 Institutional support: RVO:68378271 Keywords : effective magnetic Hamiltonian * ab initio * magnetic structure Subject RIV: BE - Theoretical Physics Impact factor: 0.930, year: 2013

A local inverse spectral theorem for Hamiltonian systems

International Nuclear Information System (INIS)

Langer, Matthias; Woracek, Harald

2011-01-01

We consider (2 × 2)-Hamiltonian systems of the form y'(x) = zJH(x)y(x), x in [s − , s + ). If a system of this form is in the limit point case, an analytic function is associated with it, namely its Titchmarsh–Weyl coefficient q H . The (global) uniqueness theorem due to de Branges says that the Hamiltonian H is (up to reparameterization) uniquely determined by the function q H . In this paper we give a local uniqueness theorem; if the Titchmarsh–Weyl coefficients q H 1 and q H 2 corresponding to two Hamiltonian systems are exponentially close, then the Hamiltonians H 1 and H 2 coincide (up to reparameterization) up to a certain point of their domain, which depends on the quantitative degree of exponential closeness of the Titchmarsh–Weyl coefficients

Physical replicas and the Bose glass in cold atomic gases

International Nuclear Information System (INIS)

Morrison, S; Kantian, A; Daley, A J; Zoller, P; Katzgraber, H G; Lewenstein, M; Buechler, H P

2008-01-01

We study cold atomic gases in a disorder potential and analyse the correlations between different systems subjected to the same disorder landscape. Such independent copies with the same disorder landscape are known as replicas. While, in general, these are not accessible experimentally in condensed matter systems, they can be realized using standard tools for controlling cold atomic gases in an optical lattice. Of special interest is the overlap function which represents a natural order parameter for disordered systems and is a correlation function between the atoms of two independent replicas with the same disorder. We demonstrate an efficient measurement scheme for the determination of this disorder-induced correlation function. As an application, we focus on the disordered Bose-Hubbard model and determine the overlap function within the perturbation theory and a numerical analysis. We find that the measurement of the overlap function allows for the identification of the Bose-glass phase in certain parameter regimes

Physical replicas and the Bose glass in cold atomic gases

Energy Technology Data Exchange (ETDEWEB)

Morrison, S; Kantian, A; Daley, A J; Zoller, P [Institute for Theoretical Physics, University of Innsbruck, Technikerstr. 25, A-6020 Innsbruck (Austria); Katzgraber, H G [Theoretische Physik, ETH Zurich, CH-8093 Zuerich (Switzerland); Lewenstein, M [ICAO-Institut de Ciencies Fotoniques, Parc Mediterrani de la Tecnologia, E-08860 Castelldefels, Barcelona (Spain); Buechler, H P [Institute for Theoretical Physics III, University of Stuttgart, Pfaffenwaldring 57, 70550 Stuttgart (Germany)], E-mail: sarah.morrison@uibk.ac.at

2008-07-15

We study cold atomic gases in a disorder potential and analyse the correlations between different systems subjected to the same disorder landscape. Such independent copies with the same disorder landscape are known as replicas. While, in general, these are not accessible experimentally in condensed matter systems, they can be realized using standard tools for controlling cold atomic gases in an optical lattice. Of special interest is the overlap function which represents a natural order parameter for disordered systems and is a correlation function between the atoms of two independent replicas with the same disorder. We demonstrate an efficient measurement scheme for the determination of this disorder-induced correlation function. As an application, we focus on the disordered Bose-Hubbard model and determine the overlap function within the perturbation theory and a numerical analysis. We find that the measurement of the overlap function allows for the identification of the Bose-glass phase in certain parameter regimes.

Platinum replica electron microscopy: Imaging the cytoskeleton globally and locally.

Science.gov (United States)

Svitkina, Tatyana M

2017-05-01

Structural studies reveal how smaller components of a system work together as a whole. However, combining high resolution of details with full coverage of the whole is challenging. In cell biology, light microscopy can image many cells in their entirety, but at a lower resolution, whereas electron microscopy affords very high resolution, but usually at the expense of the sample size and coverage. Structural analyses of the cytoskeleton are especially demanding, because cytoskeletal networks are unresolvable by light microscopy due to their density and intricacy, whereas their proper preservation is a challenge for electron microscopy. Platinum replica electron microscopy can uniquely bridge the gap between the "comfort zones" of light and electron microscopy by allowing high resolution imaging of the cytoskeleton throughout the entire cell and in many cells in the population. This review describes the principles and applications of platinum replica electron microscopy for studies of the cytoskeleton. Copyright © 2017 Elsevier Ltd. All rights reserved.

Contact symmetries and Hamiltonian thermodynamics

International Nuclear Information System (INIS)

Bravetti, A.; Lopez-Monsalvo, C.S.; Nettel, F.

2015-01-01

It has been shown that contact geometry is the proper framework underlying classical thermodynamics and that thermodynamic fluctuations are captured by an additional metric structure related to Fisher’s Information Matrix. In this work we analyse several unaddressed aspects about the application of contact and metric geometry to thermodynamics. We consider here the Thermodynamic Phase Space and start by investigating the role of gauge transformations and Legendre symmetries for metric contact manifolds and their significance in thermodynamics. Then we present a novel mathematical characterization of first order phase transitions as equilibrium processes on the Thermodynamic Phase Space for which the Legendre symmetry is broken. Moreover, we use contact Hamiltonian dynamics to represent thermodynamic processes in a way that resembles the classical Hamiltonian formulation of conservative mechanics and we show that the relevant Hamiltonian coincides with the irreversible entropy production along thermodynamic processes. Therefore, we use such property to give a geometric definition of thermodynamically admissible fluctuations according to the Second Law of thermodynamics. Finally, we show that the length of a curve describing a thermodynamic process measures its entropy production

Generic Local Hamiltonians are Gapless

Science.gov (United States)

Movassagh, Ramis

2017-12-01

We prove that generic quantum local Hamiltonians are gapless. In fact, we prove that there is a continuous density of states above the ground state. The Hamiltonian can be on a lattice in any spatial dimension or on a graph with a bounded maximum vertex degree. The type of interactions allowed for include translational invariance in a disorder (i.e., probabilistic) sense with some assumptions on the local distributions. Examples include many-body localization and random spin models. We calculate the scaling of the gap with the system's size when the local terms are distributed according to a Gaussian β orthogonal random matrix ensemble. As a corollary, there exist finite size partitions with respect to which the ground state is arbitrarily close to a product state. When the local eigenvalue distribution is discrete, in addition to the lack of an energy gap in the limit, we prove that the ground state has finite size degeneracies. The proofs are simple and constructive. This work excludes the important class of truly translationally invariant Hamiltonians where the local terms are all equal.

Characterization of Nb SRF cavity materials by white light interferometry and replica techniques

Energy Technology Data Exchange (ETDEWEB)

Xu, Chen [Thomas Jefferson National Accelerator Facility, Newport News, VA 23606 (United States); The Applied Science Department, The College of William and Mary, Williamsburg, VA 23185 (United States); Reece, Charles [Thomas Jefferson National Accelerator Facility, Newport News, VA 23606 (United States); Kelley, Michael, E-mail: mkelley@jlab.org [Thomas Jefferson National Accelerator Facility, Newport News, VA 23606 (United States); The Applied Science Department, The College of William and Mary, Williamsburg, VA 23185 (United States)

2013-06-01

Much work has shown that the topography of the interior surface is an important contributor to the performance of Nb superconducting radiofrequency (SRF) accelerator cavities. Micron-scale topography is implicated in non-linear loss mechanisms that limit the useful accelerating gradient range and impact cryogenic cost. Aggressive final chemical treatments in cavity production seek to reliably obtain “smoothest” surfaces with superior performance. Process development suffers because the cavity interior surface cannot be viewed directly without cutting out pieces, rendering the cavities unavailable for further study. Here we explore replica techniques as an alternative, providing imprints of cavity internal surface that can be readily examined. A second matter is the topography measurement technique used. Atomic force microscopy (AFM) has proven successful, but too time intensive for routine use in this application. We therefore introduce white light interferometry (WLI) as an alternative approach. We examined real surfaces and their replicas, using AFM and WLI. We find that the replica/WLI is promising to provide the large majority of the desired information, recognizing that a trade-off is being made between best lateral resolution (AFM) and the opportunity to examine much more surface area (WLI).

Hamiltonian formulation for the Martin-Taylor model

International Nuclear Information System (INIS)

Vasconcelos, D.B.; Viana, R.L.

1993-01-01

Locally stochastic layer and its optimization are studied. In order to accomplish this task, it is employed a Hamiltonian formulation of magnetic field line flow with a subsequent application of Escande-Doveil renormalization method which have been extensively used to obtain accurate estimates of stochasticity thresholds in systems exhibiting Hamiltonian chaos. (author)

Hamiltonian structure of linearly extended Virasoro algebra

International Nuclear Information System (INIS)

Arakelyan, T.A.; Savvidi, G.K.

1991-01-01

The Hamiltonian structure of linearly extended Virasoro algebra which admits free bosonic field representation is described. An example of a non-trivial extension is found. The hierarchy of integrable non-linear equations corresponding to this Hamiltonian structure is constructed. This hierarchy admits the Lax representation by matrix Lax operator of second order

Remarks on Hamiltonian structures in G2-geometry

International Nuclear Information System (INIS)

Cho, Hyunjoo; Salur, Sema; Todd, A. J.

2013-01-01

In this article, we treat G 2 -geometry as a special case of multisymplectic geometry and make a number of remarks regarding Hamiltonian multivector fields and Hamiltonian differential forms on manifolds with an integrable G 2 -structure; in particular, we discuss existence and make a number of identifications of the spaces of Hamiltonian structures associated to the two multisymplectic structures associated to an integrable G 2 -structure. Along the way, we prove some results in multisymplectic geometry that are generalizations of results from symplectic geometry

QCD string with quarks. 2. Light cone Hamiltonian

International Nuclear Information System (INIS)

Dubin, A.Yu.; Kaidalov, A.B.; Simonov, Yu.A.

1994-01-01

The light-cone Hamiltonian is derived from the general gauge - and Lorentz - invariant expression for the qq-bar Green function. The resulting Hamiltonian contains in a non-additive way contributions from quark and string degrees of freedom

Phonon replica dynamics in high quality GaN epilayers and AlGaN/GaN quantum wells

Energy Technology Data Exchange (ETDEWEB)

Alderighi, D.; Vinattieri, A.; Colocci, M. [Ist. Nazionale Fisica della Materia, Firenze (Italy); Dipt. di Fisica and LENS, Firenze (Italy); Bogani, F. [Ist. Nazionale Fisica della Materia, Firenze (Italy); Dipt. di Energetica, Firenze (Italy); Gottardo, S. [Dipt. di Fisica and LENS, Firenze (Italy); Grandjean, N.; Massies, J. [Centre de Recherche sur l' Hetero-Epitaxie et ses Applications, CNRS, Valbonne (France)

2001-01-01

We present an experimental study of the exciton and phonon replica dynamics in high quality GaN epilayers and AlGaN/GaN quantum wells (QW) by means of picosecond time-resolved photoluminescence (PL) measurements. A non-exponential decay is observed both at the zero phonon line (ZPL) and at the n = 1 LO replica. Time-resolved spectra unambiguously assign the replica to the free exciton A recombination. Optical migration effects are detected both in the epilayer and the QWs samples and disappear as the temperature increases up to 60-90 K. Even though the sample quality is comparable to state-of-the-art samples, localization effects dominate the exciton dynamics at low temperature in the studied GaN based structures. (orig.)

Linear Port-Hamiltonian Systems on Infinite-dimensional Spaces

CERN Document Server

Jacob, Birgit

2012-01-01

This book provides a self-contained introduction to the theory of infinite-dimensional systems theory and its applications to port-Hamiltonian systems. The textbook starts with elementary known results, then progresses smoothly to advanced topics in current research. Many physical systems can be formulated using a Hamiltonian framework, leading to models described by ordinary or partial differential equations. For the purpose of control and for the interconnection of two or more Hamiltonian systems it is essential to take into account this interaction with the environment. This book is the fir

Application of carbon extraction replicas in grain-size measurements of high-strength steels using TEM

International Nuclear Information System (INIS)

Poorhaydari, Kioumars; Ivey, Douglas G.

2007-01-01

In this paper, the application of carbon extraction replicas in grain-size measurements is introduced and discussed. Modern high-strength microalloyed steels, used as structural or pipeline materials, have very small grains with substructures. Replicas used in transmission electron microscopes can resolve the grain boundaries and can be used for systematic measurement of grain size in cases where the small size of the grains pushes the resolution of conventional optical microscopes. The grain-size variations obtained from replicas are compared with those obtained from optical and scanning electron microscopy. An emphasis is placed on the importance of using the correct technique for imaging and the optimal magnification. Grain-size measurements are used for estimation of grain-boundary strengthening contribution to yield strength. The variation in grain size is also correlated with hardness in the base metal of several microalloyed steels, as well as the fine-grained heat-affected zone of a weld structure with several heat inputs

Finite-dimensional Liouville integrable Hamiltonian systems generated from Lax pairs of a bi-Hamiltonian soliton hierarchy by symmetry constraints

Science.gov (United States)

Manukure, Solomon

2018-04-01

We construct finite-dimensional Hamiltonian systems by means of symmetry constraints from the Lax pairs and adjoint Lax pairs of a bi-Hamiltonian hierarchy of soliton equations associated with the 3-dimensional special linear Lie algebra, and discuss the Liouville integrability of these systems based on the existence of sufficiently many integrals of motion.

Development of SAAP3D force field and the application to replica-exchange Monte Carlo simulation for chignolin and C-peptide.

Science.gov (United States)

Iwaoka, Michio; Suzuki, Toshiki; Shoji, Yuya; Dedachi, Kenichi; Shimosato, Taku; Minezaki, Toshiya; Hojo, Hironobu; Onuki, Hiroyuki; Hirota, Hiroshi

2017-12-01

Single amino acid potential (SAAP) would be a prominent factor to determine peptide conformations. To prove this hypothesis, we previously developed SAAP force field for molecular simulation of polypeptides. In this study, the force field was renovated to SAAP3D force field by applying more accurate three-dimensional main-chain parameters, instead of the original two-dimensional ones, for the amino acids having a long side-chain. To demonstrate effectiveness of the SAAP3D force field, replica-exchange Monte Carlo (REMC) simulation was performed for two benchmark short peptides, chignolin (H-GYDPETGTWG-OH) and C-peptide (CHO-AETAAAKFLRAHA-NH 2 ). For chignolin, REMC/SAAP3D simulation correctly produced native β-turn structures, whose minimal all-atom root-mean-square deviation value measured from the native NMR structure (except for H) was 1.2 Å, at 300 K in implicit water, along with misfolded β-hairpin structures with unpacked aromatic side chains of Tyr2 and Trp9. Similar results were obtained for chignolin analog [G1Y,G10Y], which folded more tightly to the native β-turn structure than chignolin did. For C-peptide, on the other hand, the α-helix content was larger than the β content on average, suggesting a significant helix-forming propensity. When the imidazole side chain of His12 was protonated (i.e., [His12Hip]), the α content became larger. These observations as well as the representative structures obtained by clustering analysis were in reasonable agreement not only with the structures of C-peptide that were determined in this study by NMR in 30% CD 3 CD in H 2 O at 298 K but also with the experimental and theoretical behaviors having been reported for protonated C-peptide. Thus, accuracy of the SAAP force field was improved by applying three-dimensional main-chain parameters, supporting prominent importance of SAAP for peptide conformations.

Development of SAAP3D force field and the application to replica-exchange Monte Carlo simulation for chignolin and C-peptide

Science.gov (United States)

Iwaoka, Michio; Suzuki, Toshiki; Shoji, Yuya; Dedachi, Kenichi; Shimosato, Taku; Minezaki, Toshiya; Hojo, Hironobu; Onuki, Hiroyuki; Hirota, Hiroshi

2017-12-01

Single amino acid potential (SAAP) would be a prominent factor to determine peptide conformations. To prove this hypothesis, we previously developed SAAP force field for molecular simulation of polypeptides. In this study, the force field was renovated to SAAP3D force field by applying more accurate three-dimensional main-chain parameters, instead of the original two-dimensional ones, for the amino acids having a long side-chain. To demonstrate effectiveness of the SAAP3D force field, replica-exchange Monte Carlo (REMC) simulation was performed for two benchmark short peptides, chignolin (H-GYDPETGTWG-OH) and C-peptide (CHO-AETAAAKFLRAHA-NH2). For chignolin, REMC/SAAP3D simulation correctly produced native β-turn structures, whose minimal all-atom root-mean-square deviation value measured from the native NMR structure (except for H) was 1.2 Å, at 300 K in implicit water, along with misfolded β-hairpin structures with unpacked aromatic side chains of Tyr2 and Trp9. Similar results were obtained for chignolin analog [G1Y,G10Y], which folded more tightly to the native β-turn structure than chignolin did. For C-peptide, on the other hand, the α-helix content was larger than the β content on average, suggesting a significant helix-forming propensity. When the imidazole side chain of His12 was protonated (i.e., [His12Hip]), the α content became larger. These observations as well as the representative structures obtained by clustering analysis were in reasonable agreement not only with the structures of C-peptide that were determined in this study by NMR in 30% CD3CD in H2O at 298 K but also with the experimental and theoretical behaviors having been reported for protonated C-peptide. Thus, accuracy of the SAAP force field was improved by applying three-dimensional main-chain parameters, supporting prominent importance of SAAP for peptide conformations.

Local modular Hamiltonians from the quantum null energy condition

Science.gov (United States)

Koeller, Jason; Leichenauer, Stefan; Levine, Adam; Shahbazi-Moghaddam, Arvin

2018-03-01

The vacuum modular Hamiltonian K of the Rindler wedge in any relativistic quantum field theory is given by the boost generator. Here we investigate the modular Hamiltonian for more general half-spaces which are bounded by an arbitrary smooth cut of a null plane. We derive a formula for the second derivative of the modular Hamiltonian with respect to the coordinates of the cut which schematically reads K''=Tv v . This formula can be integrated twice to obtain a simple expression for the modular Hamiltonian. The result naturally generalizes the standard expression for the Rindler modular Hamiltonian to this larger class of regions. Our primary assumptions are the quantum null energy condition—an inequality between the second derivative of the von Neumann entropy of a region and the stress tensor—and its saturation in the vacuum for these regions. We discuss the validity of these assumptions in free theories and holographic theories to all orders in 1 /N .

Periodic solutions of asymptotically linear Hamiltonian systems without twist conditions

Energy Technology Data Exchange (ETDEWEB)

Cheng Rong [Coll. of Mathematics and Physics, Nanjing Univ. of Information Science and Tech., Nanjing (China); Dept. of Mathematics, Southeast Univ., Nanjing (China); Zhang Dongfeng [Dept. of Mathematics, Southeast Univ., Nanjing (China)

2010-05-15

In dynamical system theory, especially in many fields of applications from mechanics, Hamiltonian systems play an important role, since many related equations in mechanics can be written in an Hamiltonian form. In this paper, we study the existence of periodic solutions for a class of Hamiltonian systems. By applying the Galerkin approximation method together with a result of critical point theory, we establish the existence of periodic solutions of asymptotically linear Hamiltonian systems without twist conditions. Twist conditions play crucial roles in the study of periodic solutions for asymptotically linear Hamiltonian systems. The lack of twist conditions brings some difficulty to the study. To the authors' knowledge, very little is known about the case, where twist conditions do not hold. (orig.)

On local Hamiltonians and dissipative systems

Energy Technology Data Exchange (ETDEWEB)

Castagnino, M. [CONICET-Institutos de Fisica Rosario y de Astronomia y Fisica del Espacio Casilla de Correos 67, Sucursal 28, 1428, Buenos Aires (Argentina); Gadella, M. [Facultad de Ciencias Exactas, Ingenieria y Agrimensura UNR, Rosario (Argentina) and Departamento de Fisica Teorica, Facultad de Ciencias c. Real de Burgos, s.n., 47011 Valladolid (Spain)]. E-mail: manuelgadella@yahoo.com.ar; Lara, L.P. [Facultad de Ciencias Exactas, Ingenieria y Agrimensura UNR, Rosario (Argentina)

2006-11-15

We study a type of one-dimensional dynamical systems on the corresponding two-dimensional phase space. By using arguments related to the existence of integrating factors for Pfaff equations, we show that some one-dimensional non-Hamiltonian systems like dissipative systems, admit a Hamiltonian description by sectors on the phase plane. This picture is not uniquely defined and is coordinate dependent. A simple example is exhaustively discussed. The method, is not always applicable to systems with higher dimensions.

Residual gauge invariance of Hamiltonian lattice gauge theories

International Nuclear Information System (INIS)

Ryang, S.; Saito, T.; Shigemoto, K.

1984-01-01

The time-independent residual gauge invariance of Hamiltonian lattice gauge theories is considered. Eigenvalues and eigenfunctions of the unperturbed Hamiltonian are found in terms of Gegengauer's polynomials. Physical states which satisfy the subsidiary condition corresponding to Gauss' law are constructed systematically. (orig.)

Dynamical self-arrest in symmetric and asymmetric diblock copolymer melts using a replica approach within a local theory.

Science.gov (United States)

Wu, Sangwook

2009-03-01

We investigate dynamical self-arrest in a diblock copolymer melt using a replica approach within a self-consistent local method based on dynamical mean-field theory (DMFT). The local replica approach effectively predicts (chiN)_{A} for dynamical self-arrest in a block copolymer melt for symmetric and asymmetric cases. We discuss the competition of the cubic and quartic interactions in the Landau free energy for a block copolymer melt in stabilizing a glassy state depending on the chain length. Our local replica theory provides a universal value for the dynamical self-arrest in block copolymer melts with (chiN)_{A} approximately 10.5+64N;{-3/10} for the symmetric case.

Nested Sampling with Constrained Hamiltonian Monte Carlo

OpenAIRE

Betancourt, M. J.

2010-01-01

Nested sampling is a powerful approach to Bayesian inference ultimately limited by the computationally demanding task of sampling from a heavily constrained probability distribution. An effective algorithm in its own right, Hamiltonian Monte Carlo is readily adapted to efficiently sample from any smooth, constrained distribution. Utilizing this constrained Hamiltonian Monte Carlo, I introduce a general implementation of the nested sampling algorithm.

Intertwined Hamiltonians in two-dimensional curved spaces

International Nuclear Information System (INIS)

Aghababaei Samani, Keivan; Zarei, Mina

2005-01-01

The problem of intertwined Hamiltonians in two-dimensional curved spaces is investigated. Explicit results are obtained for Euclidean plane, Minkowski plane, Poincare half plane (AdS 2 ), de Sitter plane (dS 2 ), sphere, and torus. It is shown that the intertwining operator is related to the Killing vector fields and the isometry group of corresponding space. It is shown that the intertwined potentials are closely connected to the integral curves of the Killing vector fields. Two problems are considered as applications of the formalism presented in the paper. The first one is the problem of Hamiltonians with equispaced energy levels and the second one is the problem of Hamiltonians whose spectrum is like the spectrum of a free particle

Replica scaling studies of hard missile impacts on reinforced concrete

International Nuclear Information System (INIS)

Barr, P.; Carter, P.G.; Howe, W.D.; Neilson, A.J.

1982-01-01

Missile and target combinations at three different liners scales have been used in an experimental assessment of the applicability of replica scaling to the dynamic behaviour of reinforced concrete structures impacted by rigid missiles. Experimental results are presented for models with relative linear scales of 1, 0.37 and 0.12. (orig.) [de

NLO renormalization in the Hamiltonian truncation

Science.gov (United States)

Elias-Miró, Joan; Rychkov, Slava; Vitale, Lorenzo G.

2017-09-01

Hamiltonian truncation (also known as "truncated spectrum approach") is a numerical technique for solving strongly coupled quantum field theories, in which the full Hilbert space is truncated to a finite-dimensional low-energy subspace. The accuracy of the method is limited only by the available computational resources. The renormalization program improves the accuracy by carefully integrating out the high-energy states, instead of truncating them away. In this paper, we develop the most accurate ever variant of Hamiltonian Truncation, which implements renormalization at the cubic order in the interaction strength. The novel idea is to interpret the renormalization procedure as a result of integrating out exactly a certain class of high-energy "tail states." We demonstrate the power of the method with high-accuracy computations in the strongly coupled two-dimensional quartic scalar theory and benchmark it against other existing approaches. Our work will also be useful for the future goal of extending Hamiltonian truncation to higher spacetime dimensions.

Noncanonical Hamiltonian methods in plasma dynamics

International Nuclear Information System (INIS)

Kaufman, A.N.

1982-01-01

A Hamiltonian approach to plasma dynamics is described. The Poisson bracket of two observables g 1 and g 2 is given by using an antisymmetric tensor J, and must satisfy the Jacobi condition. The J can be obtained by elementary tensor analysis. The evolution in time of an observable g is given in terms of the Poisson bracket and a Hamiltonian H(Z). The guiding-center description of particle motion was presented by Littlejohn. The ponderomotive drift and force, the wave-induced oscillation-center velocity, and the gyrofrequency shift are obtained. The Lie transform yields the wave-induced increment to the gyromomentum. In the coulomb model for a Vlasov system, the dynamical variable is the Vlasov distribution f(z). The Hamiltonian functional and the Poisson bracket are obtained. The coupling of f(z) to the Maxwell field appears in the Poisson bracket. The evolution equation yields the Vlasov-Maxwell system. (Kato, T.)

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

International Nuclear Information System (INIS)

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

Equivalence of Lagrangian and Hamiltonian BRST quantizations

International Nuclear Information System (INIS)

Grigoryan, G.V.; Grigoryan, R.P.; Tyutin, I.V.

1992-01-01

Two approaches to the quantization of gauge theories using BRST symmetry are widely used nowadays: the Lagrangian quantization, developed in (BV-quantization) and Hamiltonian quantization, formulated in (BFV-quantization). For all known examples of field theory (Yang-Mills theory, gravitation etc.) both schemes give equivalent results. However the equivalence of these approaches in general wasn't proved. The main obstacle in comparing of these formulations consists in the fact, that in Hamiltonian approach the number of ghost fields is equal to the number of all first-class constraints, while in the Lagrangian approach the number of ghosts is equal to the number of independent gauge symmetries, which is equal to the number of primary first-class constraints only. This paper is devoted to the proof of the equivalence of Lagrangian and Hamiltonian quantizations for the systems with first-class constraints only. This is achieved by a choice of special gauge in the Hamiltonian approach. It's shown, that after integration over redundant variables on the functional integral we come to effective action which is constructed according to rules for construction of the effective action in Lagrangian quantization scheme

Hamiltonian evolutions of twisted polygons in RPn

International Nuclear Information System (INIS)

Beffa, Gloria Marì; Wang, Jing Ping

2013-01-01

In this paper we find a discrete moving frame and their associated invariants along projective polygons in RP n , and we use them to describe invariant evolutions of projective N-gons. We then apply a reduction process to obtain a natural Hamiltonian structure on the space of projective invariants for polygons, establishing a close relationship between the projective N-gon invariant evolutions and the Hamiltonian evolutions on the invariants of the flow. We prove that any Hamiltonian evolution is induced on invariants by an invariant evolution of N-gons—what we call a projective realization—and both evolutions are connected explicitly in a very simple way. Finally, we provide a completely integrable evolution (the Boussinesq lattice related to the lattice W 3 -algebra), its projective realization in RP 2 and its Hamiltonian pencil. We generalize both structures to n-dimensions and we prove that they are Poisson, defining explicitly the n-dimensional generalization of the planar evolution (a discretization of the W n -algebra). We prove that the generalization is completely integrable, and we also give its projective realization, which turns out to be very simple. (paper)

An algorithm for finding a similar subgraph of all Hamiltonian cycles

Science.gov (United States)

Wafdan, R.; Ihsan, M.; Suhaimi, D.

2018-01-01

This paper discusses an algorithm to find a similar subgraph called findSimSubG algorithm. A similar subgraph is a subgraph with a maximum number of edges, contains no isolated vertex and is contained in every Hamiltonian cycle of a Hamiltonian Graph. The algorithm runs only on Hamiltonian graphs with at least two Hamiltonian cycles. The algorithm works by examining whether the initial subgraph of the first Hamiltonian cycle is a subgraph of comparison graphs. If the initial subgraph is not in comparison graphs, the algorithm will remove edges and vertices of the initial subgraph that are not in comparison graphs. There are two main processes in the algorithm, changing Hamiltonian cycle into a cycle graph and removing edges and vertices of the initial subgraph that are not in comparison graphs. The findSimSubG algorithm can find the similar subgraph without using backtracking method. The similar subgraph cannot be found on certain graphs, such as an n-antiprism graph, complete bipartite graph, complete graph, 2n-crossed prism graph, n-crown graph, n-möbius ladder, prism graph, and wheel graph. The complexity of this algorithm is O(m|V|), where m is the number of Hamiltonian cycles and |V| is the number of vertices of a Hamiltonian graph.

Replica field theory for a polymer in random media

International Nuclear Information System (INIS)

Goldschmidt, Yadin Y.

2000-01-01

In this paper we revisit the problem of a (non-self-avoiding) polymer chain in a random medium which was previously investigated by Edwards and Muthukumar (EM) [J. Chem. Phys. 89, 2435 (1988)]. As noticed by Cates and Ball (CB) [J. Phys. (France) 49, 2009 (1988)] there is a discrepancy between the predictions of the replica calculation of EM and the expectation that in an infinite medium the quenched and annealed results should coincide (for a chain that is free to move) and a long polymer should always collapse. CB argued that only in a finite volume one might see a ''localization transition'' (or crossover) from a stretched to a collapsed chain in three spatial dimensions. Here we carry out the replica calculation in the presence of an additional confining harmonic potential that mimics the effect of a finite volume. Using a variational scheme with five variational parameters we derive analytically for d -1/(4-d) ∼(g ln V) -1/(4-d) , where R is the radius of gyration, g is the strength of the disorder, μ is the spring constant associated with the confining potential, and V is the associated effective volume of the system. Thus the EM result is recovered with their constant replaced by ln V as argued by CB. We see that in the strict infinite volume limit the polymer always collapses, but for finite volume a transition from a stretched to a collapsed form might be observed as a function of the strength of the disorder. For d V ' ∼exp(g 2/(2-d) L (4-d)/(2-d) ) the annealed results are recovered and R∼(Lg) 1/(d-2) , where L is the length of the polymer. Hence the polymer also collapses in the large L limit. The one-step replica symmetry breaking solution is crucial for obtaining the above results. (c) 2000 The American Physical Society

Hamiltonian constraint in polymer parametrized field theory

International Nuclear Information System (INIS)

Laddha, Alok; Varadarajan, Madhavan

2011-01-01

Recently, a generally covariant reformulation of two-dimensional flat spacetime free scalar field theory known as parametrized field theory was quantized using loop quantum gravity (LQG) type ''polymer'' representations. Physical states were constructed, without intermediate regularization structures, by averaging over the group of gauge transformations generated by the constraints, the constraint algebra being a Lie algebra. We consider classically equivalent combinations of these constraints corresponding to a diffeomorphism and a Hamiltonian constraint, which, as in gravity, define a Dirac algebra. Our treatment of the quantum constraints parallels that of LQG and obtains the following results, expected to be of use in the construction of the quantum dynamics of LQG: (i) the (triangulated) Hamiltonian constraint acts only on vertices, its construction involves some of the same ambiguities as in LQG and its action on diffeomorphism invariant states admits a continuum limit, (ii) if the regulating holonomies are in representations tailored to the edge labels of the state, all previously obtained physical states lie in the kernel of the Hamiltonian constraint, (iii) the commutator of two (density weight 1) Hamiltonian constraints as well as the operator correspondent of their classical Poisson bracket converge to zero in the continuum limit defined by diffeomorphism invariant states, and vanish on the Lewandowski-Marolf habitat, (iv) the rescaled density 2 Hamiltonian constraints and their commutator are ill-defined on the Lewandowski-Marolf habitat despite the well-definedness of the operator correspondent of their classical Poisson bracket there, (v) there is a new habitat which supports a nontrivial representation of the Poisson-Lie algebra of density 2 constraints.

Snyder noncommutativity and pseudo-Hermitian Hamiltonians from a Jordanian twist

International Nuclear Information System (INIS)

Castro, P.G.; Kullock, R.; Toppan, F.

2011-01-01

Nonrelativistic quantum mechanics and conformal quantum mechanics are de- formed through a Jordanian twist. The deformed space coordinates satisfy the Snyder noncommutativity. The resulting deformed Hamiltonians are pseudo-Hermitian Hamiltonians of the type discussed by Mostafazadeh. The quantization scheme makes use of the so-called 'unfolded formalism' discussed in previous works. A Hopf algebra structure, compatible with the physical interpretation of the coproduct, is introduced for the Universal Enveloping Algebra of a suitably chosen dynamical Lie algebra (the Hamiltonian is contained among its generators). The multi-particle sector, uniquely determined by the deformed 2-particle Hamiltonian, is composed of bosonic particles. (author)

Non-stoquastic Hamiltonians in quantum annealing via geometric phases

Science.gov (United States)

Vinci, Walter; Lidar, Daniel A.

2017-09-01

We argue that a complete description of quantum annealing implemented with continuous variables must take into account the non-adiabatic Aharonov-Anandan geometric phase that arises when the system Hamiltonian changes during the anneal. We show that this geometric effect leads to the appearance of non-stoquasticity in the effective quantum Ising Hamiltonians that are typically used to describe quantum annealing with flux qubits. We explicitly demonstrate the effect of this geometric non-stoquasticity when quantum annealing is performed with a system of one and two coupled flux qubits. The realization of non-stoquastic Hamiltonians has important implications from a computational complexity perspective, since it is believed that in many cases quantum annealing with stoquastic Hamiltonians can be efficiently simulated via classical algorithms such as Quantum Monte Carlo. It is well known that the direct implementation of non-stoquastic Hamiltonians with flux qubits is particularly challenging. Our results suggest an alternative path for the implementation of non-stoquasticity via geometric phases that can be exploited for computational purposes.

The Artificial Hamiltonian, First Integrals, and Closed-Form Solutions of Dynamical Systems for Epidemics

Science.gov (United States)

Naz, Rehana; Naeem, Imran

2018-03-01

The non-standard Hamiltonian system, also referred to as a partial Hamiltonian system in the literature, of the form {\\dot q^i} = {partial H}/{partial {p_i}},\\dot p^i = - {partial H}/{partial {q_i}} + {Γ ^i}(t,{q^i},{p_i}) appears widely in economics, physics, mechanics, and other fields. The non-standard (partial) Hamiltonian systems arise from physical Hamiltonian structures as well as from artificial Hamiltonian structures. We introduce the term `artificial Hamiltonian' for the Hamiltonian of a model having no physical structure. We provide here explicitly the notion of an artificial Hamiltonian for dynamical systems of ordinary differential equations (ODEs). Also, we show that every system of second-order ODEs can be expressed as a non-standard (partial) Hamiltonian system of first-order ODEs by introducing an artificial Hamiltonian. This notion of an artificial Hamiltonian gives a new way to solve dynamical systems of first-order ODEs and systems of second-order ODEs that can be expressed as a non-standard (partial) Hamiltonian system by using the known techniques applicable to the non-standard Hamiltonian systems. We employ the proposed notion to solve dynamical systems of first-order ODEs arising in epidemics.

Modelling chaotic Hamiltonian systems as a Markov Chain ...

African Journals Online (AJOL)

The behaviour of chaotic Hamiltonian system has been characterised qualitatively in recent times by its appearance on the Poincaré section and quantitatively by the Lyapunov exponent. Studying the dynamics of the two chaotic Hamiltonian systems: the Henon-Heiles system and non-linearly coupled oscillators as their ...

Non-self-adjoint hamiltonians defined by Riesz bases

Energy Technology Data Exchange (ETDEWEB)

Bagarello, F., E-mail: fabio.bagarello@unipa.it [Dipartimento di Energia, Ingegneria dell' Informazione e Modelli Matematici, Facoltà di Ingegneria, Università di Palermo, I-90128 Palermo, Italy and INFN, Università di Torino, Torino (Italy); Inoue, A., E-mail: a-inoue@fukuoka-u.ac.jp [Department of Applied Mathematics, Fukuoka University, Fukuoka 814-0180 (Japan); Trapani, C., E-mail: camillo.trapani@unipa.it [Dipartimento di Matematica e Informatica, Università di Palermo, I-90123 Palermo (Italy)

2014-03-15

We discuss some features of non-self-adjoint Hamiltonians with real discrete simple spectrum under the assumption that the eigenvectors form a Riesz basis of Hilbert space. Among other things, we give conditions under which these Hamiltonians can be factorized in terms of generalized lowering and raising operators.

Classical and quantum mechanics of complex Hamiltonian systems ...

Indian Academy of Sciences (India)

Vol. 73, No. 2. — journal of. August 2009 physics pp. 287–297. Classical and quantum mechanics of complex. Hamiltonian systems: An extended complex phase space ... 1Department of Physics, Ramjas College (University Enclave), University of Delhi,. Delhi 110 ... 1.1 Motivation behind the study of complex Hamiltonians.

The hamiltonian index of a graph and its branch-bonds

NARCIS (Netherlands)

Xiong, Liming; Broersma, Haitze J.; Li, Xueliang; Li, Xueliang; Li, MingChu

2004-01-01

Let G be an undirected and loopless finite graph that is not a path. The smallest integer m such that the iterated line graph Lm(G) is hamiltonian is called the hamiltonian index of G, denoted by h(G). A reduction method to determine the hamiltonian index of a graph G with h(G) ≤ 2 is given here. We

15th International Conference on Non-Hermitian Hamiltonians in Quantum Physics

CERN Document Server

Passante, Roberto; Trapani, Camillo

2016-01-01

This book presents the Proceedings of the 15th International Conference on Non-Hermitian Hamiltonians in Quantum Physics, held in Palermo, Italy, from 18 to 23 May 2015. Non-Hermitian operators, and non-Hermitian Hamiltonians in particular, have recently received considerable attention from both the mathematics and physics communities. There has been a growing interest in non-Hermitian Hamiltonians in quantum physics since the discovery that PT-symmetric Hamiltonians can have a real spectrum and thus a physical relevance. The main subjects considered in this book include: PT-symmetry in quantum physics, PT-optics, Spectral singularities and spectral techniques, Indefinite-metric theories, Open quantum systems, Krein space methods, and Biorthogonal systems and applications. The book also provides a summary of recent advances in pseudo-Hermitian Hamiltonians and PT-symmetric Hamiltonians, as well as their applications in quantum physics and in the theory of open quantum systems.

Stability and replica symmetry in the ising spin glass: a toy model

International Nuclear Information System (INIS)

De Dominicis, C.; Mottishaw, P.

1986-01-01

Searching for possible replica symmetric solutions in an Ising spin glass (in the tree approximation) we investigate a toy model whose bond distribution has two non vanishing cumulants (instead of one only as in a gaussian distribution)

Hamiltonian reduction and supersymmetric mechanics with Dirac monopole

International Nuclear Information System (INIS)

Bellucci, Stefano; Nersessian, Armen; Yeranyan, Armen

2006-01-01

We apply the technique of Hamiltonian reduction for the construction of three-dimensional N=4 supersymmetric mechanics specified by the presence of a Dirac monopole. For this purpose we take the conventional N=4 supersymmetric mechanics on the four-dimensional conformally-flat spaces and perform its Hamiltonian reduction to three-dimensional system. We formulate the final system in the canonical coordinates, and present, in these terms, the explicit expressions of the Hamiltonian and supercharges. We show that, besides a magnetic monopole field, the resulting system is specified by the presence of a spin-orbit coupling term. A comparision with previous work is also carried out

New Hamiltonian constraint operator for loop quantum gravity

Energy Technology Data Exchange (ETDEWEB)

Yang, Jinsong, E-mail: yangksong@gmail.com [Department of Physics, Guizhou university, Guiyang 550025 (China); Institute of Physics, Academia Sinica, Taiwan (China); Ma, Yongge, E-mail: mayg@bnu.edu.cn [Department of Physics, Beijing Normal University, Beijing 100875 (China)

2015-12-17

A new symmetric Hamiltonian constraint operator is proposed for loop quantum gravity, which is well defined in the Hilbert space of diffeomorphism invariant states up to non-planar vertices with valence higher than three. It inherits the advantage of the original regularization method to create new vertices to the spin networks. The quantum algebra of this Hamiltonian is anomaly-free on shell, and there is less ambiguity in its construction in comparison with the original method. The regularization procedure for this Hamiltonian constraint operator can also be applied to the symmetric model of loop quantum cosmology, which leads to a new quantum dynamics of the cosmological model.

New Hamiltonian constraint operator for loop quantum gravity

Directory of Open Access Journals (Sweden)

Jinsong Yang

2015-12-01

Full Text Available A new symmetric Hamiltonian constraint operator is proposed for loop quantum gravity, which is well defined in the Hilbert space of diffeomorphism invariant states up to non-planar vertices with valence higher than three. It inherits the advantage of the original regularization method to create new vertices to the spin networks. The quantum algebra of this Hamiltonian is anomaly-free on shell, and there is less ambiguity in its construction in comparison with the original method. The regularization procedure for this Hamiltonian constraint operator can also be applied to the symmetric model of loop quantum cosmology, which leads to a new quantum dynamics of the cosmological model.

The Hamiltonian structure of general relativistic perfect fluids

International Nuclear Information System (INIS)

Bao, D.; Houston Univ., TX; Marsden, J.; Walton, R.

1985-01-01

We show that the evolution equations for a perfect fluid coupled to general relativity in a general lapse and shift, are Hamiltonian relative to a certain Poisson structure. For the fluid variables, a Lie-Poisson structure associated to the dual of a semi-direct product Lie algebra is used, while the bracket for the gravitational variables has the usual canonical symplectic structure. The evolution is governed by a Hamiltonian which is equivalent to that obtained from a canonical analysis. The relationship of our Hamiltonian structure with other approaches in the literature, such as Clebsch potentials, Lagrangian to Eulerian transformations, and its use in clarifying linearization stability, are discussed. (orig.)

An effective Hamiltonian approach to quantum random walk

Indian Academy of Sciences (India)

2017-02-09

Feb 9, 2017 ... Abstract. In this article we present an effective Hamiltonian approach for discrete time quantum random walk. A form of the Hamiltonian for one-dimensional quantum walk has been prescribed, utilizing the fact that Hamil- tonians are generators of time translations. Then an attempt has been made to ...

Tunable hydrodynamic characteristics in microchannels with biomimetic superhydrophobic (lotus leaf replica) walls.

Science.gov (United States)

Dey, Ranabir; Raj M, Kiran; Bhandaru, Nandini; Mukherjee, Rabibrata; Chakraborty, Suman

2014-05-21

The present work comprehensively addresses the hydrodynamic characteristics through microchannels with lotus leaf replica (exhibiting low adhesion and superhydrophobic properties) walls. The lotus leaf replica is fabricated following an efficient, two-step, soft-molding process and is then integrated with rectangular microchannels. The inherent biomimetic, superhydrophobic surface-liquid interfacial hydrodynamics, and the consequential bulk flow characteristics, are critically analyzed by the micro-particle image velocimetry technique. It is observed that the lotus leaf replica mediated microscale hydrodynamics comprise of two distinct flow regimes even within the low Reynolds number paradigm, unlike the commonly perceived solely apparent slip-stick dominated flows over superhydrophobic surfaces. While the first flow regime is characterized by an apparent slip-stick flow culminating in an enhanced bulk throughput rate, the second flow regime exhibits a complete breakdown of the aforementioned laminar and uni-axial flow model, leading to a predominantly no-slip flow. Interestingly, the critical flow condition dictating the transition between the two hydrodynamic regimes is intrinsically dependent on the micro-confinement effect. In this regard, an energetically consistent theoretical model is also proposed to predict the alterations in the critical flow condition with varying microchannel configurations, by addressing the underlying biomimetic surface-liquid interfacial conditions. Hence, the present research endeavour provides a new design-guiding paradigm for developing multi-functional microfluidic devices involving biomimetic, superhydrophobic surfaces, by judicious exploitation of the tunable hydrodynamic characteristics in the two regimes.

Non-isospectrality of the generalized Swanson Hamiltonian and harmonic oscillator

Energy Technology Data Exchange (ETDEWEB)

Midya, Bikashkali; Dube, P P; Roychoudhury, Rajkumar, E-mail: bikash.midya@gmail.com, E-mail: ppdube1@gmail.com, E-mail: raj@isical.ac.in [Physics and Applied Mathematics Unit, Indian Statistical Institute, Kolkata 700108 (India)

2011-02-11

The generalized Swanson Hamiltonian H{sub GS}=w(a-tilde a-tilde{sup {dagger}}+1/2)+{alpha}{alpha}-tilde{sup 2}+{beta}a-tilde{sup {dagger}}{sup 2} with a-tilde = A(x) d/dx + B(x) can be transformed into an equivalent Hermitian Hamiltonian with the help of a similarity transformation. It is shown that the equivalent Hermitian Hamiltonian can be further transformed into the harmonic oscillator Hamiltonian so long as [a-ilde,a-tilde{sup {dagger}}]=constant. However, the main objective of this communication is to show that though the commutator of a-tilde and a-tilde{sup {dagger}} is constant, the generalized Swanson Hamiltonian is not necessarily isospectral to the harmonic oscillator. The reason for this anomaly is discussed in the framework of position-dependent mass models by choosing A(x) as the inverse square root of the mass function. (fast track communication)

Hamiltonian-Driven Adaptive Dynamic Programming for Continuous Nonlinear Dynamical Systems.

Science.gov (United States)

Yang, Yongliang; Wunsch, Donald; Yin, Yixin

2017-08-01

This paper presents a Hamiltonian-driven framework of adaptive dynamic programming (ADP) for continuous time nonlinear systems, which consists of evaluation of an admissible control, comparison between two different admissible policies with respect to the corresponding the performance function, and the performance improvement of an admissible control. It is showed that the Hamiltonian can serve as the temporal difference for continuous-time systems. In the Hamiltonian-driven ADP, the critic network is trained to output the value gradient. Then, the inner product between the critic and the system dynamics produces the value derivative. Under some conditions, the minimization of the Hamiltonian functional is equivalent to the value function approximation. An iterative algorithm starting from an arbitrary admissible control is presented for the optimal control approximation with its convergence proof. The implementation is accomplished by a neural network approximation. Two simulation studies demonstrate the effectiveness of Hamiltonian-driven ADP.

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

Directory of Open Access Journals (Sweden)

Chao Ding

2017-01-01

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

Symmetries, conservation principles, and the phenomenology of meson exchange currents. Chapter 12

International Nuclear Information System (INIS)

Foldy, L.L.; Lock, J.A.

1979-01-01

The authors show that as an alternative to one-pion exchange S-matrix calculations, one may learn quite a bit concerning meson exchange electromagnetic and weak currents by the application of various symmetries and conservation laws. In particular, one may determine the most general form that the exchange currents may take in the static approximation by the application of invariance under spatial translations, rotations, and space inversion, the electric charge superselection principle. Lorentz invariance, vector current conservation, time reversal invariance, Hermiticity of the interaction Hamiltonian, and invariance under coordinate interchange. (Auth.)

Snyder noncommutativity and pseudo-Hermitian Hamiltonians from a Jordanian twist

Energy Technology Data Exchange (ETDEWEB)

Castro, P.G., E-mail: pgcastro@cbpf.b [Universidade Federal de Juiz de Fora (DM/ICE/UFJF), Juiz de Fora, MG (Brazil). Inst. de Ciencias Exatas. Dept. de Matematica; Kullock, R.; Toppan, F., E-mail: ricardokl@cbpf.b, E-mail: toppan@cbpf.b [Centro Brasileiro de Pesquisas Fisicas (TEO/CBPF), Rio de Janeiro, RJ (Brazil). Coordenacao de Fisica Teorica

2011-07-01

Nonrelativistic quantum mechanics and conformal quantum mechanics are de- formed through a Jordanian twist. The deformed space coordinates satisfy the Snyder noncommutativity. The resulting deformed Hamiltonians are pseudo-Hermitian Hamiltonians of the type discussed by Mostafazadeh. The quantization scheme makes use of the so-called 'unfolded formalism' discussed in previous works. A Hopf algebra structure, compatible with the physical interpretation of the coproduct, is introduced for the Universal Enveloping Algebra of a suitably chosen dynamical Lie algebra (the Hamiltonian is contained among its generators). The multi-particle sector, uniquely determined by the deformed 2-particle Hamiltonian, is composed of bosonic particles. (author)

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

Science.gov (United States)

Sakata, A.

2016-12-01

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

Introduction to thermodynamics of spin models in the Hamiltonian limit

Energy Technology Data Exchange (ETDEWEB)

Berche, Bertrand [Groupe M, Laboratoire de Physique des Materiaux, UMR CNRS No 7556, Universite Henri Poincare, Nancy 1, BP 239, F-54506 Vandoeuvre les Nancy, (France); Lopez, Alexander [Instituto Venezolano de Investigaciones CientIficas, Centro de Fisica, Carr. Panamericana, km 11, Altos de Pipe, Aptdo 21827, 1020-A Caracas, (Venezuela)

2006-01-01

A didactic description of the thermodynamic properties of classical spin systems is given in terms of their quantum counterpart in the Hamiltonian limit. Emphasis is on the construction of the relevant Hamiltonian and the calculation of thermal averages is explicitly done in the case of small systems described, in Hamiltonian field theory, by small matrices. The targeted students are those of a graduate statistical physics course.

Hamiltonian dynamics of preferential attachment

International Nuclear Information System (INIS)

Zuev, Konstantin; Papadopoulos, Fragkiskos; Krioukov, Dmitri

2016-01-01

Prediction and control of network dynamics are grand-challenge problems in network science. The lack of understanding of fundamental laws driving the dynamics of networks is among the reasons why many practical problems of great significance remain unsolved for decades. Here we study the dynamics of networks evolving according to preferential attachment (PA), known to approximate well the large-scale growth dynamics of a variety of real networks. We show that this dynamics is Hamiltonian, thus casting the study of complex networks dynamics to the powerful canonical formalism, in which the time evolution of a dynamical system is described by Hamilton’s equations. We derive the explicit form of the Hamiltonian that governs network growth in PA. This Hamiltonian turns out to be nearly identical to graph energy in the configuration model, which shows that the ensemble of random graphs generated by PA is nearly identical to the ensemble of random graphs with scale-free degree distributions. In other words, PA generates nothing but random graphs with power-law degree distribution. The extension of the developed canonical formalism for network analysis to richer geometric network models with non-degenerate groups of symmetries may eventually lead to a system of equations describing network dynamics at small scales. (paper)

Hamiltonian formalisms and symmetries of the Pais–Uhlenbeck oscillator

Directory of Open Access Journals (Sweden)

Krzysztof Andrzejewski

2014-12-01

Full Text Available The study of the symmetry of Pais–Uhlenbeck oscillator initiated in Andrzejewski et al. (2014 [24] is continued with special emphasis put on the Hamiltonian formalism. The symmetry generators within the original Pais and Uhlenbeck Hamiltonian approach as well as the canonical transformation to the Ostrogradski Hamiltonian framework are derived. The resulting algebra of generators appears to be the central extension of the one obtained on the Lagrangian level; in particular, in the case of odd frequencies one obtains the centrally extended l-conformal Newton–Hooke algebra. In this important case the canonical transformation to an alternative Hamiltonian formalism (related to the free higher derivatives theory is constructed. It is shown that all generators can be expressed in terms of the ones for the free theory and the result agrees with that obtained by the orbit method.

Multivector field formulation of Hamiltonian field theories: equations and symmetries

Energy Technology Data Exchange (ETDEWEB)

Echeverria-Enriquez, A.; Munoz-Lecanda, M.C.; Roman-Roy, N. [Departamento de Matematica Aplicada y Telematica, Edificio C-3, Campus Norte UPC, Barcelona (Spain)

1999-12-03

We state the intrinsic form of the Hamiltonian equations of first-order classical field theories in three equivalent geometrical ways: using multivector fields, jet fields and connections. Thus, these equations are given in a form similar to that in which the Hamiltonian equations of mechanics are usually given. Then, using multivector fields, we study several aspects of these equations, such as the existence and non-uniqueness of solutions, and the integrability problem. In particular, these problems are analysed for the case of Hamiltonian systems defined in a submanifold of the multimomentum bundle. Furthermore, the existence of first integrals of these Hamiltonian equations is considered, and the relation between Cartan-Noether symmetries and general symmetries of the system is discussed. Noether's theorem is also stated in this context, both the 'classical' version and its generalization to include higher-order Cartan-Noether symmetries. Finally, the equivalence between the Lagrangian and Hamiltonian formalisms is also discussed. (author)

Variational derivation of a time-dependent Hartree-Fock Hamiltonian

International Nuclear Information System (INIS)

Lichtner, P.C.; Griffin, J.J.; Schultheis, H.; Schultheis, R.; Volkov, A.B.

1979-01-01

The variational derivation of the time-dependent Hartree-Fock equation is reviewed. When norm-violating variations are included, a unique time-dependent Hartree-Fock Hamiltonian, which differs from that customarily used in time-dependent Hartree-Fock analyses, is implied. This variationally ''true'' Hartree-Fock Hamiltonian has the same expectation value as the exact Hamiltonian, equal to the average energy of the system. Since this quantity remains constant under time-dependent Hartree-Fock time evolution, we suggest the label ''constant '' for this form of time-dependent Hartree-Fock theory

Toric codes and quantum doubles from two-body Hamiltonians

Energy Technology Data Exchange (ETDEWEB)

Brell, Courtney G; Bartlett, Stephen D; Doherty, Andrew C [Centre for Engineered Quantum Systems, School of Physics, University of Sydney, Sydney (Australia); Flammia, Steven T, E-mail: cbrell@physics.usyd.edu.au [Perimeter Institute for Theoretical Physics, Waterloo (Canada)

2011-05-15

We present here a procedure to obtain the Hamiltonians of the toric code and Kitaev quantum double models as the low-energy limits of entirely two-body Hamiltonians. Our construction makes use of a new type of perturbation gadget based on error-detecting subsystem codes. The procedure is motivated by a projected entangled pair states (PEPS) description of the target models, and reproduces the target models' behavior using only couplings that are natural in terms of the original Hamiltonians. This allows our construction to capture the symmetries of the target models.

Hamiltonian formalism of two-dimensional Vlasov kinetic equation.

Science.gov (United States)

Pavlov, Maxim V

2014-12-08

In this paper, the two-dimensional Benney system describing long wave propagation of a finite depth fluid motion and the multi-dimensional Russo-Smereka kinetic equation describing a bubbly flow are considered. The Hamiltonian approach established by J. Gibbons for the one-dimensional Vlasov kinetic equation is extended to a multi-dimensional case. A local Hamiltonian structure associated with the hydrodynamic lattice of moments derived by D. J. Benney is constructed. A relationship between this hydrodynamic lattice of moments and the two-dimensional Vlasov kinetic equation is found. In the two-dimensional case, a Hamiltonian hydrodynamic lattice for the Russo-Smereka kinetic model is constructed. Simple hydrodynamic reductions are presented.

The group of Hamiltonian automorphisms of a star product

OpenAIRE

La Fuente-Gravy, Laurent

2015-01-01

We deform the group of Hamiltonian diffeomorphisms into the group of Hamiltonian automorphisms of a formal star product on a symplectic manifold. We study the geometry of that group and deform the Flux morphism in the framework of deformation quantization.

Port-Hamiltonian approaches to motion generation for mechanical systems

NARCIS (Netherlands)

Sakai, Satoru; Stramigioli, Stefano

This paper gives new motion generation methods for mechanical port-Hamiltonian systems. First, we propose a generation method based on an asymptotic stabilization method without damping assignment. This asymptotic stabilization method preserves the Hamiltonian structure in the closed-loop system

The bi-Hamiltonian structures of the Manin-Radul super KP hierarchy

International Nuclear Information System (INIS)

Panda, S.; Roy, S.

1992-05-01

We consider the ''even-time'' flow of the Manin-Radul supersymmetric KP hierarchy and show that it possesses bi-Hamiltonian structures by deriving two distinct Gelfand-Dikii brackets corresponding to two successive Hamiltonians of the system. A recursion relation involving them is also obtained. We observe that the first Hamiltonian structure defines a supersymmetric Lie algebra since it is a linear algebra among the super fields appearing in the Lax operator whereas the second Hamiltonian structure is a non-linear algebra and so it does not define a Lie algebra. (author). 25 refs

Hamiltonian description of the ideal fluid

International Nuclear Information System (INIS)

Morrison, P.J.

1998-01-01

The Hamiltonian viewpoint of fluid mechanical systems with few and infinite number of degrees of freedom is described. Rudimentary concepts of finite-degree-of-freedom Hamiltonian dynamics are reviewed, in the context of the passive advection of a scalar or tracer field by a fluid. The notions of integrability, invariant-tori, chaos, overlap criteria, and invariant-tori breakup are described in this context. Preparatory to the introduction of field theories, systems with an infinite number of degrees of freedom, elements of functional calculus and action principles of mechanics are reviewed. The action principle for the ideal compressible fluid is described in terms of Lagrangian or material variables. Hamiltonian systems in terms of noncanonical variables are presented, including several examples of Eulerian or inviscid fluid dynamics. Lie group theory sufficient for the treatment of reduction is reviewed. The reduction from Lagrangian to Eulerian variables is treated along with Clebsch variable decompositions. Stability in the canonical and noncanonical Hamiltonian contexts is described. Sufficient conditions for stability, such as Rayleigh-like criteria, are seen to be only sufficient in the general case because of the existence of negative-energy modes, which are possessed by interesting fluid equilibria. Linearly stable equilibria with negative energy modes are argued to be unstable when nonlinearity or dissipation is added. The energy-Casimir method is discussed and a variant of it that depends upon the notion of dynamical accessibility is described. The energy content of a perturbation about a general fluid equilibrium is calculated using three methods. copyright 1998 The American Physical Society

Multi-symplectic integrators: numerical schemes for Hamiltonian PDEs that conserve symplecticity

Science.gov (United States)

Bridges, Thomas J.; Reich, Sebastian

2001-06-01

The symplectic numerical integration of finite-dimensional Hamiltonian systems is a well established subject and has led to a deeper understanding of existing methods as well as to the development of new very efficient and accurate schemes, e.g., for rigid body, constrained, and molecular dynamics. The numerical integration of infinite-dimensional Hamiltonian systems or Hamiltonian PDEs is much less explored. In this Letter, we suggest a new theoretical framework for generalizing symplectic numerical integrators for ODEs to Hamiltonian PDEs in R2: time plus one space dimension. The central idea is that symplecticity for Hamiltonian PDEs is directional: the symplectic structure of the PDE is decomposed into distinct components representing space and time independently. In this setting PDE integrators can be constructed by concatenating uni-directional ODE symplectic integrators. This suggests a natural definition of multi-symplectic integrator as a discretization that conserves a discrete version of the conservation of symplecticity for Hamiltonian PDEs. We show that this approach leads to a general framework for geometric numerical schemes for Hamiltonian PDEs, which have remarkable energy and momentum conservation properties. Generalizations, including development of higher-order methods, application to the Euler equations in fluid mechanics, application to perturbed systems, and extension to more than one space dimension are also discussed.

Bäcklund transformations and Hamiltonian flows

International Nuclear Information System (INIS)

Zullo, Federico

2013-01-01

In this work we show that, under certain conditions, parametric Bäcklund transformations for a finite dimensional integrable system can be interpreted as solutions to the equations of motion defined by an associated non-autonomous Hamiltonian. The two systems share the same constants of motion. This observation leads to the identification of the Hamiltonian interpolating the iteration of the discrete map defined by the transformations, which indeed in numerical applications can be considered a linear combination of the integrals appearing in the spectral curve of the Lax matrix. An example with the periodic Toda lattice is given. (paper)

Hamiltonian dynamics for complex food webs

Science.gov (United States)

Kozlov, Vladimir; Vakulenko, Sergey; Wennergren, Uno

2016-03-01

We investigate stability and dynamics of large ecological networks by introducing classical methods of dynamical system theory from physics, including Hamiltonian and averaging methods. Our analysis exploits the topological structure of the network, namely the existence of strongly connected nodes (hubs) in the networks. We reveal new relations between topology, interaction structure, and network dynamics. We describe mechanisms of catastrophic phenomena leading to sharp changes of dynamics and hence completely altering the ecosystem. We also show how these phenomena depend on the structure of interaction between species. We can conclude that a Hamiltonian structure of biological interactions leads to stability and large biodiversity.

Dirac-bracket aproach to nearly-geostrophic Hamiltonian balanced models

NARCIS (Netherlands)

Vanneste, J.; Bokhove, Onno

2002-01-01

Dirac’s theory of constrained Hamiltonian systems is applied to derive the Poisson structure of a class of balanced models describing the slow dynamics of geophysical flows. Working with the Poisson structure, instead of the canonical Hamiltonian structure previously considered in this context,

Hamiltonian reduction of SU(2) Yang-Mills field theory

International Nuclear Information System (INIS)

Khvedelidze, A.M.; Pavel, H.-P.

1998-01-01

The unconstrained system equivalent to SU (2) Yang-Mills field theory is obtained in the framework of the generalized Hamiltonian formalism using the method of Hamiltonian reduction. The reduced system is expressed in terms of fields with 'nonrelativistic' spin-0 and spin-2

Structure preserving port-Hamiltonian model reduction of electrical circuits

NARCIS (Netherlands)

Polyuga, R.; Schaft, van der A.J.; Benner, P.; Hinze, M.; Maten, ter E.J.W.

2011-01-01

This paper discusses model reduction of electrical circuits based on a port-Hamiltonian representation. It is shown that by the use of the Kalman decomposition an uncontrollable and/or unobservable port-Hamiltonian system is reduced to a controllable/observable system that inherits the

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

International Nuclear Information System (INIS)

Hoots, S.; Wadsworth, D.

1984-01-01

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 0 close-in. This paper describes these measurements and the results. 12 references, 13 figures, 5 tables

Hamiltonian boundary term and quasilocal energy flux

International Nuclear Information System (INIS)

Chen, C.-M.; Nester, James M.; Tung, R.-S.

2005-01-01

The Hamiltonian for a gravitating region includes a boundary term which determines not only the quasilocal values but also, via the boundary variation principle, the boundary conditions. Using our covariant Hamiltonian formalism, we found four particular quasilocal energy-momentum boundary term expressions; each corresponds to a physically distinct and geometrically clear boundary condition. Here, from a consideration of the asymptotics, we show how a fundamental Hamiltonian identity naturally leads to the associated quasilocal energy flux expressions. For electromagnetism one of the four is distinguished: the only one which is gauge invariant; it gives the familiar energy density and Poynting flux. For Einstein's general relativity two different boundary condition choices correspond to quasilocal expressions which asymptotically give the ADM energy, the Trautman-Bondi energy and, moreover, an associated energy flux (both outgoing and incoming). Again there is a distinguished expression: the one which is covariant

Generalized internal long wave equations: construction, hamiltonian structure and conservation laws

International Nuclear Information System (INIS)

Lebedev, D.R.

1982-01-01

Some aspects of the theory of the internal long-wave equations (ILW) are considered. A general class of the ILW type equations is constructed by means of the Zakharov-Shabat ''dressing'' method. Hamiltonian structure and infinite numbers of conservation laws are introduced. The considered equations are shown to be Hamiltonian in the so-called second Hamiltonian structu

Port Hamiltonian Formulation of Infinite Dimensional Systems I. Modeling

NARCIS (Netherlands)

Macchelli, Alessandro; Schaft, Arjan J. van der; Melchiorri, Claudio

2004-01-01

In this paper, some new results concerning the modeling of distributed parameter systems in port Hamiltonian form are presented. The classical finite dimensional port Hamiltonian formulation of a dynamical system is generalized in order to cope with the distributed parameter and multi-variable case.

Exchange interactions and Curie temperature in Ni.sub.2-x./sub.MnSb alloys:First-principles study

Czech Academy of Sciences Publication Activity Database

Rusz, J.; Bergqvist, L.; Kudrnovský, Josef; Turek, Ilja

2006-01-01

Roč. 73, č. 21 (2006), 214412/1-214412/10 ISSN 1098-0121 R&D Projects: GA AV ČR IAA100100616; GA ČR GA202/04/0583 Institutional research plan: CEZ:AV0Z10100520; CEZ:AV0Z10100521; CEZ:AV0Z20410507 Keywords : exchange interactions, classical Heisenberg Hamiltonian, RPA , multisublattice system, disordered system * classical Heisenberg Hamiltonian * RPA * multisublattice system * disordered system Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.107, year: 2006

Alternative Hamiltonian representation for gravity

International Nuclear Information System (INIS)

Rosas-RodrIguez, R

2007-01-01

By using a Hamiltonian formalism for fields wider than the canonical one, we write the Einstein vacuum field equations in terms of alternative variables. This variables emerge from the Ashtekar's formalism for gravity

Número de replicações de inquéritos dietéticos para estimativa da ingestão de nutrientes em gestantes brasileiras

Directory of Open Access Journals (Sweden)

Daniela Saes Sartorelli

2014-12-01

Full Text Available Objetivos: determinar o número de replicações de inquéritos dietéticos necessários para estimar a ingestão usual de nutrientes e em categorias de consumo de gestantes no Brasil. Métodos: estudo prospectivo conduzido entre 82 gestantes, no qual as informações sobre energia e 18 nutrientes foram obtidas em três inquéritos recordatórios de 24 horas, sendo um em cada trimestre gestacional. Empregaram-se diferentes fórmulas para o cálculo do número de replicações do método necessárias para classificar as gestantes em categorias de ingestão, que considera a razão das variâncias intrapessoal/interpessoal, e para a estimativa da ingestão usual, baseado na variância intrapessoal. Resultados: para classificar as gestantes em categorias são necessárias entre 11 e 51 replicações do método, considerando-se coeficiente de correlação de 0,9. Admitindo coeficiente de correlação de 0,7, o número de replicações do método variou entre quatro e 19. Para a estimativa da ingestão usual são necessárias entre duas e 33 replicações, admitindo-se um erro de 10%. Considerando-se um erro de 20%, são necessárias entre uma e sete replicações de inquéritos dietéticos. Conclusões: é necessário um elevado número de replicações de inquéritos dietéticos na estimativa da ingestão de nutrientes na gestação e o emprego de um número reduzido de replicações poderá atenuar as associações entre a dieta e desfechos de saúde maternos e fetais.

Ostrogradski Hamiltonian approach for geodetic brane gravity

International Nuclear Information System (INIS)

Cordero, Ruben; Molgado, Alberto; Rojas, Efrain

2010-01-01

We present an alternative Hamiltonian description of a branelike universe immersed in a flat background spacetime. This model is named geodetic brane gravity. We set up the Regge-Teitelboim model to describe our Universe where such field theory is originally thought as a second order derivative theory. We refer to an Ostrogradski Hamiltonian formalism to prepare the system to its quantization. This approach comprize the manage of both first- and second-class constraints and the counting of degrees of freedom follows accordingly.

The Group of Hamiltonian Automorphisms of a Star Product

Energy Technology Data Exchange (ETDEWEB)

La Fuente-Gravy, Laurent, E-mail: lfuente@ulg.ac.be [Université de Liège, Département de Mathématique (Belgium)

2016-09-15

We deform the group of Hamiltonian diffeomorphisms into a group of Hamiltonian automorphisms, Ham(M,∗), of a formal star product ∗ on a symplectic manifold (M,ω). We study the geometry of that group and deform the Flux morphism in the framework of deformation quantization.

Model reduction of port-Hamiltonian systems as structured systems

NARCIS (Netherlands)

Polyuga, R.V.; Schaft, van der A.J.

2010-01-01

The goal of this work is to demonstrate that a specific projection-based model reduction method, which provides an H2 error bound, turns out to be applicable to port-Hamiltonian systems, preserving the port-Hamiltonian structure for the reduced order model, and, as a consequence, passivity.

The Group of Hamiltonian Automorphisms of a Star Product

International Nuclear Information System (INIS)

La Fuente-Gravy, Laurent

2016-01-01

We deform the group of Hamiltonian diffeomorphisms into a group of Hamiltonian automorphisms, Ham(M,∗), of a formal star product ∗ on a symplectic manifold (M,ω). We study the geometry of that group and deform the Flux morphism in the framework of deformation quantization.

Hamiltonian dynamics

CERN Document Server

Vilasi, Gaetano

2001-01-01

This is both a textbook and a monograph. It is partially based on a two-semester course, held by the author for third-year students in physics and mathematics at the University of Salerno, on analytical mechanics, differential geometry, symplectic manifolds and integrable systems. As a textbook, it provides a systematic and self-consistent formulation of Hamiltonian dynamics both in a rigorous coordinate language and in the modern language of differential geometry. It also presents powerful mathematical methods of theoretical physics, especially in gauge theories and general relativity. As a m

Exact smooth classification of Hamiltonian vector fields on symplectic 2-manifolds

International Nuclear Information System (INIS)

Krouglikov, B.S.

1994-10-01

Complete exact classification of Hamiltonian systems with one degree of freedom and Morse Hamiltonian is carried out. As it is a main part of trajectory classification of integrable Hamiltonian systems with two degrees of freedom, the corresponding generalization is considered. The dual problem of classification of symplectic form together with Morse foliation is carried out as well. (author). 10 refs, 16 figs

New Hamiltonian structure of the fractional C-KdV soliton equation hierarchy

International Nuclear Information System (INIS)

Yu Fajun; Zhang Hongqing

2008-01-01

A generalized Hamiltonian structure of the fractional soliton equation hierarchy is presented by using of differential forms and exterior derivatives of fractional orders. Example of the fractional Hamiltonian system of the C-KdV soliton equation hierarchy is constructed, which is a new Hamiltonian structure

Hamiltonian formalism for perfect fluids in general relativity

International Nuclear Information System (INIS)

Demaret, J.; Moncrief, V.

1980-01-01

Schutz's Hamiltonian theory of a relativistic perfect fluid, based on the velocity-potential version of classical perfect fluid hydrodynamics as formulated by Seliger and Whitham, is used to derive, in the framework of the Arnowitt, Deser, and Misner (ADM) method, a general partially reduced Hamiltonian for relativistic systems filled with a perfect fluid. The time coordinate is chosen, as in Lund's treatment of collapsing balls of dust, as minus the only velocity potential different from zero in the case of an irrotational and isentropic fluid. A ''semi-Dirac'' method can be applied to quantize astrophysical and cosmological models in the framework of this partially reduced formalism. If one chooses Taub's adapted comoving coordinate system, it is possible to derive a fully reduced ADM Hamiltonian, which is equal to minus the total baryon number of the fluid, generalizing a result previously obtained by Moncrief in the more particular framework of Taub's variational principle, valid for self-gravitating barotropic relativistic perfect fluids. An unconstrained Hamiltonian density is then explicitly derived for a fluid obeying the equation of state p=(gamma-1)rho (1 < or = γ < or = 2), which can adequately describe the phases of very high density attained in a catastrophic collapse or during the early stages of the Universe. This Hamiltonian density, shown to be equivalent to Moncrief's in the particular case of an isentropic fluid, can be simplified for fluid-filled class-A diagonal Bianchi-type cosmological models and appears as a suitable starting point for the study of the canonical quantization of these models

A Hamiltonian functional for the linearized Einstein vacuum field equations

International Nuclear Information System (INIS)

Rosas-RodrIguez, R

2005-01-01

By considering the Einstein vacuum field equations linearized about the Minkowski metric, the evolution equations for the gauge-invariant quantities characterizing the gravitational field are written in a Hamiltonian form by using a conserved functional as Hamiltonian; this Hamiltonian is not the analog of the energy of the field. A Poisson bracket between functionals of the field, compatible with the constraints satisfied by the field variables, is obtained. The generator of spatial translations associated with such bracket is also obtained

The detectability lemma and its applications to quantum Hamiltonian complexity

International Nuclear Information System (INIS)

Aharonov, Dorit; Arad, Itai; Vazirani, Umesh; Landau, Zeph

2011-01-01

Quantum Hamiltonian complexity, an emerging area at the intersection of condensed matter physics and quantum complexity theory, studies the properties of local Hamiltonians and their ground states. In this paper we focus on a seemingly specialized technical tool, the detectability lemma (DL), introduced in the context of the quantum PCP challenge (Aharonov et al 2009 arXiv:0811.3412), which is a major open question in quantum Hamiltonian complexity. We show that a reformulated version of the lemma is a versatile tool that can be used in place of the celebrated Lieb-Robinson (LR) bound to prove several important results in quantum Hamiltonian complexity. The resulting proofs are much simpler, more combinatorial and provide a plausible path toward tackling some fundamental open questions in Hamiltonian complexity. We provide an alternative simpler proof of the DL that removes a key restriction in the original statement (Aharonov et al 2009 arXiv:0811.3412), making it more suitable for the broader context of quantum Hamiltonian complexity. Specifically, we first use the DL to provide a one-page proof of Hastings' result that the correlations in the ground states of gapped Hamiltonians decay exponentially with distance (Hastings 2004 Phys. Rev. B 69 104431). We then apply the DL to derive a simpler and more intuitive proof of Hastings' seminal one-dimensional (1D) area law (Hastings 2007 J. Stat. Mech. (2007) P8024) (both these proofs are restricted to frustration-free systems). Proving the area law for two and higher dimensions is one of the most important open questions in the field of Hamiltonian complexity, and the combinatorial nature of the DL-based proof holds out hope for a possible generalization. Indeed, soon after the first publication of the methods presented here, they were applied to derive exponential improvements to Hastings' result (Arad et al 2011, Aharonov et al 2011) in the case of frustration-free 1D systems. Finally, we also provide a more general

Effective Hamiltonian within the microscopic unitary nuclear model

International Nuclear Information System (INIS)

Filippov, G.F.; Blokhin, A.L.

1989-01-01

A technique of projecting the microscopic nuclear Hamiltonian on the SU(3)-group enveloping algebra is developed. The approach proposed is based on the effective Hamiltonian restored from the matrix elements between the coherent states of the SU(3) irreducible representations. The technique is displayed for almost magic nuclei within the mixed representation basis, and for arbitrary nuclei within the single representation. 40 refs

Hamilton-Jacobi theorems for regular reducible Hamiltonian systems on a cotangent bundle

Science.gov (United States)

Wang, Hong

2017-09-01

In this paper, some of formulations of Hamilton-Jacobi equations for Hamiltonian system and regular reduced Hamiltonian systems are given. At first, an important lemma is proved, and it is a modification for the corresponding result of Abraham and Marsden (1978), such that we can prove two types of geometric Hamilton-Jacobi theorem for a Hamiltonian system on the cotangent bundle of a configuration manifold, by using the symplectic form and dynamical vector field. Then these results are generalized to the regular reducible Hamiltonian system with symmetry and momentum map, by using the reduced symplectic form and the reduced dynamical vector field. The Hamilton-Jacobi theorems are proved and two types of Hamilton-Jacobi equations, for the regular point reduced Hamiltonian system and the regular orbit reduced Hamiltonian system, are obtained. As an application of the theoretical results, the regular point reducible Hamiltonian system on a Lie group is considered, and two types of Lie-Poisson Hamilton-Jacobi equation for the regular point reduced system are given. In particular, the Type I and Type II of Lie-Poisson Hamilton-Jacobi equations for the regular point reduced rigid body and heavy top systems are shown, respectively.

Proactive replica checking to assure reliability of data in cloud storage with minimum replication

Science.gov (United States)

Murarka, Damini; Maheswari, G. Uma

2017-11-01

The two major issues for cloud storage systems are data reliability and storage costs. For data reliability protection, multi-replica replication strategy which is used mostly in current clouds acquires huge storage consumption, leading to a large storage cost for applications within the loud specifically. This paper presents a cost-efficient data reliability mechanism named PRCR to cut back the cloud storage consumption. PRCR ensures data reliability of large cloud information with the replication that might conjointly function as a price effective benchmark for replication. The duplication shows that when resembled to the standard three-replica approach, PRCR will scale back to consume only a simple fraction of the cloud storage from one-third of the storage, thence considerably minimizing the cloud storage price.

An implementation of the maximum-caliber principle by replica-averaged time-resolved restrained simulations.

Science.gov (United States)

Capelli, Riccardo; Tiana, Guido; Camilloni, Carlo

2018-05-14

Inferential methods can be used to integrate experimental informations and molecular simulations. The maximum entropy principle provides a framework for using equilibrium experimental data, and it has been shown that replica-averaged simulations, restrained using a static potential, are a practical and powerful implementation of such a principle. Here we show that replica-averaged simulations restrained using a time-dependent potential are equivalent to the principle of maximum caliber, the dynamic version of the principle of maximum entropy, and thus may allow us to integrate time-resolved data in molecular dynamics simulations. We provide an analytical proof of the equivalence as well as a computational validation making use of simple models and synthetic data. Some limitations and possible solutions are also discussed.

Alternative Hamiltonian representation for gravity

Energy Technology Data Exchange (ETDEWEB)

Rosas-RodrIguez, R [Instituto de Fisica, Universidad Autonoma de Puebla, Apdo. Postal J-48, 72570, Puebla, Pue. (Mexico)

2007-11-15

By using a Hamiltonian formalism for fields wider than the canonical one, we write the Einstein vacuum field equations in terms of alternative variables. This variables emerge from the Ashtekar's formalism for gravity.

Modified Dirac Hamiltonian for efficient quantum mechanical simulations of micron sized devices

International Nuclear Information System (INIS)

Habib, K. M. Masum; Ghosh, Avik W.; Sajjad, Redwan N.

2016-01-01

Representing massless Dirac fermions on a spatial lattice poses a potential challenge known as the Fermion Doubling problem. Addition of a quadratic term to the Dirac Hamiltonian provides a possible way to circumvent this problem. We show that the modified Hamiltonian with the additional term results in a very small Hamiltonian matrix when discretized on a real space square lattice. The resulting Hamiltonian matrix is considerably more efficient for numerical simulations without sacrificing on accuracy and is several orders of magnitude faster than the atomistic tight binding model. Using this Hamiltonian and the non-equilibrium Green's function formalism, we show several transport phenomena in graphene, such as magnetic focusing, chiral tunneling in the ballistic limit, and conductivity in the diffusive limit in micron sized graphene devices. The modified Hamiltonian can be used for any system with massless Dirac fermions such as Topological Insulators, opening up a simulation domain that is not readily accessible otherwise.

Modified Dirac Hamiltonian for efficient quantum mechanical simulations of micron sized devices

Energy Technology Data Exchange (ETDEWEB)

Habib, K. M. Masum, E-mail: masum.habib@virginia.edu; Ghosh, Avik W. [Department of Electrical and Computer Engineering, University of Virginia, Charlottesville, Virginia 22904 (United States); Sajjad, Redwan N. [Department of Electrical Engineering and Computer Science, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139 (United States)

2016-03-14

Representing massless Dirac fermions on a spatial lattice poses a potential challenge known as the Fermion Doubling problem. Addition of a quadratic term to the Dirac Hamiltonian provides a possible way to circumvent this problem. We show that the modified Hamiltonian with the additional term results in a very small Hamiltonian matrix when discretized on a real space square lattice. The resulting Hamiltonian matrix is considerably more efficient for numerical simulations without sacrificing on accuracy and is several orders of magnitude faster than the atomistic tight binding model. Using this Hamiltonian and the non-equilibrium Green's function formalism, we show several transport phenomena in graphene, such as magnetic focusing, chiral tunneling in the ballistic limit, and conductivity in the diffusive limit in micron sized graphene devices. The modified Hamiltonian can be used for any system with massless Dirac fermions such as Topological Insulators, opening up a simulation domain that is not readily accessible otherwise.

Topological color codes and two-body quantum lattice Hamiltonians

Science.gov (United States)

Kargarian, M.; Bombin, H.; Martin-Delgado, M. A.

2010-02-01

Topological color codes are among the stabilizer codes with remarkable properties from the quantum information perspective. In this paper, we construct a lattice, the so-called ruby lattice, with coordination number 4 governed by a two-body Hamiltonian. In a particular regime of coupling constants, in a strong coupling limit, degenerate perturbation theory implies that the low-energy spectrum of the model can be described by a many-body effective Hamiltonian, which encodes the color code as its ground state subspace. Ground state subspace corresponds to a vortex-free sector. The gauge symmetry Z2×Z2 of the color code could already be realized by identifying three distinct plaquette operators on the ruby lattice. All plaquette operators commute with each other and with the Hamiltonian being integrals of motion. Plaquettes are extended to closed strings or string-net structures. Non-contractible closed strings winding the space commute with Hamiltonian but not always with each other. This gives rise to exact topological degeneracy of the model. A connection to 2-colexes can be established via the coloring of the strings. We discuss it at the non-perturbative level. The particular structure of the two-body Hamiltonian provides a fruitful interpretation in terms of mapping onto bosons coupled to effective spins. We show that high-energy excitations of the model have fermionic statistics. They form three families of high-energy excitations each of one color. Furthermore, we show that they belong to a particular family of topological charges. The emergence of invisible charges is related to the string-net structure of the model. The emerging fermions are coupled to nontrivial gauge fields. We show that for particular 2-colexes, the fermions can see the background fluxes in the ground state. Also, we use the Jordan-Wigner transformation in order to test the integrability of the model via introducing Majorana fermions. The four-valent structure of the lattice prevents the

Effects of force fields on the conformational and dynamic properties of amyloid β(1-40) dimer explored by replica exchange molecular dynamics simulations.

Science.gov (United States)

Watts, Charles R; Gregory, Andrew; Frisbie, Cole; Lovas, Sándor

2018-03-01

The conformational space and structural ensembles of amyloid beta (Aβ) peptides and their oligomers in solution are inherently disordered and proven to be challenging to study. Optimum force field selection for molecular dynamics (MD) simulations and the biophysical relevance of results are still unknown. We compared the conformational space of the Aβ(1-40) dimers by 300 ns replica exchange MD simulations at physiological temperature (310 K) using: the AMBER-ff99sb-ILDN, AMBER-ff99sb*-ILDN, AMBER-ff99sb-NMR, and CHARMM22* force fields. Statistical comparisons of simulation results to experimental data and previously published simulations utilizing the CHARMM22* and CHARMM36 force fields were performed. All force fields yield sampled ensembles of conformations with collision cross sectional areas for the dimer that are statistically significantly larger than experimental results. All force fields, with the exception of AMBER-ff99sb-ILDN (8.8 ± 6.4%) and CHARMM36 (2.7 ± 4.2%), tend to overestimate the α-helical content compared to experimental CD (5.3 ± 5.2%). Using the AMBER-ff99sb-NMR force field resulted in the greatest degree of variance (41.3 ± 12.9%). Except for the AMBER-ff99sb-NMR force field, the others tended to under estimate the expected amount of β-sheet and over estimate the amount of turn/bend/random coil conformations. All force fields, with the exception AMBER-ff99sb-NMR, reproduce a theoretically expected β-sheet-turn-β-sheet conformational motif, however, only the CHARMM22* and CHARMM36 force fields yield results compatible with collapse of the central and C-terminal hydrophobic cores from residues 17-21 and 30-36. Although analyses of essential subspace sampling showed only minor variations between force fields, secondary structures of lowest energy conformers are different. © 2017 Wiley Periodicals, Inc.

An infinite-order two-component relativistic Hamiltonian by a simple one-step transformation.

Science.gov (United States)

Ilias, Miroslav; Saue, Trond

2007-02-14

The authors report the implementation of a simple one-step method for obtaining an infinite-order two-component (IOTC) relativistic Hamiltonian using matrix algebra. They apply the IOTC Hamiltonian to calculations of excitation and ionization energies as well as electric and magnetic properties of the radon atom. The results are compared to corresponding calculations using identical basis sets and based on the four-component Dirac-Coulomb Hamiltonian as well as Douglas-Kroll-Hess and zeroth-order regular approximation Hamiltonians, all implemented in the DIRAC program package, thus allowing a comprehensive comparison of relativistic Hamiltonians within the finite basis approximation.

A hierarchy of Liouville integrable discrete Hamiltonian equations

Energy Technology Data Exchange (ETDEWEB)

Xu Xixiang [College of Science, Shandong University of Science and Technology, Qingdao 266510 (China)], E-mail: xixiang_xu@yahoo.com.cn

2008-05-12

Based on a discrete four-by-four matrix spectral problem, a hierarchy of Lax integrable lattice equations with two potentials is derived. Two Hamiltonian forms are constructed for each lattice equation in the resulting hierarchy by means of the discrete variational identity. A strong symmetry operator of the resulting hierarchy is given. Finally, it is shown that the resulting lattice equations are all Liouville integrable discrete Hamiltonian systems.

Families of superintegrable Hamiltonians constructed from exceptional polynomials

International Nuclear Information System (INIS)

Post, Sarah; Tsujimoto, Satoshi; Vinet, Luc

2012-01-01

We introduce a family of exactly-solvable two-dimensional Hamiltonians whose wave functions are given in terms of Laguerre and exceptional Jacobi polynomials. The Hamiltonians contain purely quantum terms which vanish in the classical limit leaving only a previously known family of superintegrable systems. Additional, higher-order integrals of motion are constructed from ladder operators for the considered orthogonal polynomials proving the quantum system to be superintegrable. (paper)

SOLVING THE HAMILTONIAN CYCLE PROBLEM USING SYMBOLIC DETERMINANTS

OpenAIRE

Ejov, V.; Filar, J. A.; Lucas, S. K.; Nelson, J. L.

2006-01-01

In this note we show how the Hamiltonian Cycle problem can be reduced to solving a system of polynomial equations related to the adjacency matrix of a graph. This system of equations can be solved using the method of Gröbner bases, but we also show how a symbolic determinant related to the adjacency matrix can be used to directly decide whether a graph has a Hamiltonian cycle.

Hamiltonian derivation of a gyrofluid model for collisionless magnetic reconnection

International Nuclear Information System (INIS)

Tassi, E

2014-01-01

We consider a simple electromagnetic gyrokinetic model for collisionless plasmas and show that it possesses a Hamiltonian structure. Subsequently, from this model we derive a two-moment gyrofluid model by means of a procedure which guarantees that the resulting gyrofluid model is also Hamiltonian. The first step in the derivation consists of imposing a generic fluid closure in the Poisson bracket of the gyrokinetic model, after expressing such bracket in terms of the gyrofluid moments. The constraint of the Jacobi identity, which every Poisson bracket has to satisfy, selects then what closures can lead to a Hamiltonian gyrofluid system. For the case at hand, it turns out that the only closures (not involving integro/differential operators or an explicit dependence on the spatial coordinates) that lead to a valid Poisson bracket are those for which the second order parallel moment, independently for each species, is proportional to the zero order moment. In particular, if one chooses an isothermal closure based on the equilibrium temperatures and derives accordingly the Hamiltonian of the system from the Hamiltonian of the parent gyrokinetic model, one recovers a known Hamiltonian gyrofluid model for collisionless reconnection. The proposed procedure, in addition to yield a gyrofluid model which automatically conserves the total energy, provides also, through the resulting Poisson bracket, a way to derive further conservation laws of the gyrofluid model, associated with the so called Casimir invariants. We show that a relation exists between Casimir invariants of the gyrofluid model and those of the gyrokinetic parent model. The application of such Hamiltonian derivation procedure to this two-moment gyrofluid model is a first step toward its application to more realistic, higher-order fluid or gyrofluid models for tokamaks. It also extends to the electromagnetic gyrokinetic case, recent applications of the same procedure to Vlasov and drift- kinetic systems

The time-dependence of exchange-induced relaxation during modulated radio frequency pulses.

Science.gov (United States)

Sorce, Dennis J; Michaeli, Shalom; Garwood, Michael

2006-03-01

The problem of the relaxation of identical spins 1/2 induced by chemical exchange between spins with different chemical shifts in the presence of time-dependent RF irradiation (in the first rotating frame) is considered for the fast exchange regime. The solution for the time evolution under the chemical exchange Hamiltonian in the tilted doubly rotating frame (TDRF) is presented. Detailed derivation is specified to the case of a two-site chemical exchange system with complete randomization between jumps of the exchanging spins. The derived theory can be applied to describe the modulation of the chemical exchange relaxation rate constants when using a train of adiabatic pulses, such as the hyperbolic secant pulse. Theory presented is valid for quantification of the exchange-induced time-dependent rotating frame longitudinal T1rho,ex and transverse T2rho,ex relaxations in the fast chemical exchange regime.

EPR of exchange coupled systems

CERN Document Server

Bencini, Alessandro

2012-01-01

From chemistry to solid state physics to biology, the applications of Electron Paramagnetic Resonance (EPR) are relevant to many areas. This unified treatment is based on the spin Hamiltonian approach and makes extensive use of irreducible tensor techniques to analyze systems in which two or more spins are magnetically coupled. This edition contains a new Introduction by coauthor Dante Gatteschi, a pioneer and scholar of molecular magnetism.The first two chapters review the foundations of exchange interactions, followed by examinations of the spectra of pairs and clusters, relaxation in oligon

Weak KAM for commuting Hamiltonians

International Nuclear Information System (INIS)

Zavidovique, M

2010-01-01

For two commuting Tonelli Hamiltonians, we recover the commutation of the Lax–Oleinik semi-groups, a result of Barles and Tourin (2001 Indiana Univ. Math. J. 50 1523–44), using a direct geometrical method (Stoke's theorem). We also obtain a 'generalization' of a theorem of Maderna (2002 Bull. Soc. Math. France 130 493–506). More precisely, we prove that if the phase space is the cotangent of a compact manifold then the weak KAM solutions (or viscosity solutions of the critical stationary Hamilton–Jacobi equation) for G and for H are the same. As a corollary we obtain the equality of the Aubry sets and of the Peierls barrier. This is also related to works of Sorrentino (2009 On the Integrability of Tonelli Hamiltonians Preprint) and Bernard (2007 Duke Math. J. 136 401–20)

Hamiltonian dynamics of extended objects

Science.gov (United States)

Capovilla, R.; Guven, J.; Rojas, E.

2004-12-01

We consider relativistic extended objects described by a reparametrization-invariant local action that depends on the extrinsic curvature of the worldvolume swept out by the object as it evolves. We provide a Hamiltonian formulation of the dynamics of such higher derivative models which is motivated by the ADM formulation of general relativity. The canonical momenta are identified by looking at boundary behaviour under small deformations of the action; the relationship between the momentum conjugate to the embedding functions and the conserved momentum density is established. The canonical Hamiltonian is constructed explicitly; the constraints on the phase space, both primary and secondary, are identified and the role they play in the theory is described. The multipliers implementing the primary constraints are identified in terms of the ADM lapse and shift variables and Hamilton's equations are shown to be consistent with the Euler Lagrange equations.

Hamiltonian dynamics of extended objects

International Nuclear Information System (INIS)

Capovilla, R; Guven, J; Rojas, E

2004-01-01

We consider relativistic extended objects described by a reparametrization-invariant local action that depends on the extrinsic curvature of the worldvolume swept out by the object as it evolves. We provide a Hamiltonian formulation of the dynamics of such higher derivative models which is motivated by the ADM formulation of general relativity. The canonical momenta are identified by looking at boundary behaviour under small deformations of the action; the relationship between the momentum conjugate to the embedding functions and the conserved momentum density is established. The canonical Hamiltonian is constructed explicitly; the constraints on the phase space, both primary and secondary, are identified and the role they play in the theory is described. The multipliers implementing the primary constraints are identified in terms of the ADM lapse and shift variables and Hamilton's equations are shown to be consistent with the Euler-Lagrange equations

Geometry of quantal adiabatic evolution driven by a non-Hermitian Hamiltonian

International Nuclear Information System (INIS)

Wu Zhaoyan; Yu Ting; Zhou Hongwei

1994-01-01

It is shown by using a counter example, which is exactly solvable, that the quantal adiabatic theorem does not generally hold for a non-Hermitian driving Hamiltonian, even if it varies extremely slowly. The condition for the quantal adiabatic theorem to hold for non-Hermitian driving Hamiltonians is given. The adiabatic evolutions driven by a non-Hermitian Hamiltonian provide examples of a new geometric structure, that is the vector bundle in which the inner product of two parallelly transported vectors generally changes. A new geometric concept, the attenuation tensor, is naturally introduced to describe the decay or flourish of the open quantum system. It is constructed in terms of the spectral projector of the Hamiltonian. (orig.)

Quadratic hamiltonians and relativistic quantum mechanics

International Nuclear Information System (INIS)

Razumov, A.V.; Solov'ev, V.O.; Taranov, A.Yu.

1981-01-01

For the case of a charged scalar field described by a quadratic hamiltonian the equivalent relativistic quantum mechanics is constructed in one-particle sector. Complete investigation of a charged relativistic particle motion in the Coulomb field is carried out. Subcritical as well as supercritical cases are considered. In the course of investigation of the charged scalar particle in the Coulomb field the diagonalization of the quadratic hamiltonian describing the charged scalar quantized field interaction with the external Coulomb field has taken place. Mathematically this problem is bound to the construction of self-conjugated expansions of the symmetric operator. The construction of such expansion is necessary at any small external field magnitude [ru

Hamiltonian mechanics and divergence-free fields

International Nuclear Information System (INIS)

Boozer, A.H.

1986-08-01

The field lines, or integral curves, of a divergence-free field in three dimensions are shown to be topologically equivalent to the trajectories of a Hamiltonian with two degrees of freedom. The consideration of fields that depend on a parameter allow the construction of a canonical perturbation theory which is valid even if the perturbation is large. If the parametric dependence of the magnetic, or the vorticity field is interpreted as time dependence, evolution equations are obtained which give Kelvin's theorem or the flux conservation theorem for ideal fluids and plasmas. The Hamiltonian methods prove especially useful for study of fields in which the field lines must be known throughout a volume of space

Nuclear research emulsion neutron spectrometry at the Little-Boy replica

International Nuclear Information System (INIS)

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

1985-10-01

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

Construction of alternative Hamiltonian structures for field equations

Energy Technology Data Exchange (ETDEWEB)

Herrera, Mauricio [Departamento de Fisica, Facultad de Ciencias Fisicas y Matematicas, Universidad de Chile, Santiago (Chile); Hojman, Sergio A. [Departamento de Fisica, Facultad de Ciencias, Universidad de Chile, Santiago (Chile); Facultad de Educacion, Universidad Nacional Andres Bello, Santiago (Chile); Centro de Recursos Educativos Avanzados, CREA, Santiago (Chile)

2001-08-10

We use symmetry vectors of nonlinear field equations to build alternative Hamiltonian structures. We construct such structures even for equations which are usually believed to be non-Hamiltonian such as heat, Burger and potential Burger equations. We improve on a previous version of the approach using recursion operators to increase the rank of the Poisson bracket matrices. Cole-Hopf and Miura-type transformations allow the mapping of these structures from one equation to another. (author)

Maslov index for Hamiltonian systems

Directory of Open Access Journals (Sweden)

Alessandro Portaluri

2008-01-01

Full Text Available The aim of this article is to give an explicit formula for computing the Maslov index of the fundamental solutions of linear autonomous Hamiltonian systems in terms of the Conley-Zehnder index and the map time one flow.

An extended discrete gradient formula for oscillatory Hamiltonian systems

International Nuclear Information System (INIS)

Liu Kai; Shi Wei; Wu Xinyuan

2013-01-01

In this paper, incorporating the idea of the discrete gradient method into the extended Runge–Kutta–Nyström integrator, we derive and analyze an extended discrete gradient formula for the oscillatory Hamiltonian system with the Hamiltonian H(p,q)= 1/2 p T p+ 1/2 q T Mq+U(q), where q:R→R d represents generalized positions, p:R→R d represents generalized momenta and M is an element of R dxd is a symmetric and positive semi-definite matrix. The solution of this system is a nonlinear oscillator. Basically, many nonlinear oscillatory mechanical systems with a partitioned Hamiltonian function lend themselves to this approach. The extended discrete gradient formula presented in this paper exactly preserves the energy H(p, q). We derive some properties of the new formula. The convergence is analyzed for the implicit schemes based on the discrete gradient formula, and it turns out that the convergence of the implicit schemes based on the extended discrete gradient formula is independent of ‖M‖, which is a significant property for the oscillatory Hamiltonian system. Thus, it transpires that a larger step size can be chosen for the new energy-preserving schemes than that for the traditional discrete gradient methods when applied to the oscillatory Hamiltonian system. Illustrative examples show the competence and efficiency of the new schemes in comparison with the traditional discrete gradient methods in the scientific literature. (paper)

A generalized Tu formula and Hamiltonian structures of fractional AKNS hierarchy

International Nuclear Information System (INIS)

Wu, Guo-cheng; Zhang, Sheng

2011-01-01

In this Letter, a generalized Tu formula is firstly presented to construct Hamiltonian structures of fractional soliton equations. The obtained results can be reduced to the classical Hamiltonian hierarchy of AKNS in ordinary calculus. -- Highlights: → A generalized Tu formula is first established based on the fractional variational theory for non-differentiable functions. → Hamiltonian structures of fractional AKNS hierarchy are obtained. → The classical AKNS hierarchy is just a special case of the fractional hierarchy.

A generalized Tu formula and Hamiltonian structures of fractional AKNS hierarchy

Energy Technology Data Exchange (ETDEWEB)

Wu, Guo-cheng, E-mail: wuguocheng2002@yahoo.com.cn [Key Laboratory of Numerical Simulation of Sichuan Province, Neijiang, Sichuan 641112 (China); College of Mathematics and Information Science, Neijiang Normal University, Neijiang, Sichuan 641112 (China); Zhang, Sheng, E-mail: zhshaeng@yahoo.com.cn [School of Mathematical Sciences, Dalian University of Technology, Dalian 116024 (China)

2011-10-03

In this Letter, a generalized Tu formula is firstly presented to construct Hamiltonian structures of fractional soliton equations. The obtained results can be reduced to the classical Hamiltonian hierarchy of AKNS in ordinary calculus. -- Highlights: → A generalized Tu formula is first established based on the fractional variational theory for non-differentiable functions. → Hamiltonian structures of fractional AKNS hierarchy are obtained. → The classical AKNS hierarchy is just a special case of the fractional hierarchy.

Formulation of Hamiltonian mechanics with even and odd Poisson brackets

International Nuclear Information System (INIS)

Khudaverdyan, O.M.; Nersesyan, A.P.

1987-01-01

A possibility is studied as to constrict the odd Poisson bracket and odd Hamiltonian by the given dynamics in phase superspace - the even Poisson bracket and even Hamiltonian so the transition to the new structure does not change the equations of motion. 9 refs

Orbits and variational principles for conservative Hamiltonian systems

International Nuclear Information System (INIS)

Torres del Castillo, G.F.

1989-01-01

It is shown that for any Hamiltonian system whose Hamiltonian is time-independent the equations that determine the orbits followed by the system, without making reference to time, have the form of Hamilton's equations in a phase space of dimension two units smaller than that of the original phase space. By considering the cases of classical mechanics and of geometrical optics, it is shown that this result amounts, respectively, to Maupertuis' least action principle and to Fermat's principle. (Author)

Hamiltonian dynamics of extended objects

Energy Technology Data Exchange (ETDEWEB)

Capovilla, R [Departamento de FIsica, Centro de Investigacion y de Estudios Avanzados del IPN, Apdo Postal 14-740, 07000 Mexico, DF (Mexico); Guven, J [School of Theoretical Physics, Dublin Institute for Advanced Studies, 10 Burlington Road, Dublin 4 (Ireland); Rojas, E [Instituto de Ciencias Nucleares, Universidad Nacional Autonoma de Mexico, Apdo Postal 70-543, 04510 Mexico, DF (Mexico)

2004-12-07

We consider relativistic extended objects described by a reparametrization-invariant local action that depends on the extrinsic curvature of the worldvolume swept out by the object as it evolves. We provide a Hamiltonian formulation of the dynamics of such higher derivative models which is motivated by the ADM formulation of general relativity. The canonical momenta are identified by looking at boundary behaviour under small deformations of the action; the relationship between the momentum conjugate to the embedding functions and the conserved momentum density is established. The canonical Hamiltonian is constructed explicitly; the constraints on the phase space, both primary and secondary, are identified and the role they play in the theory is described. The multipliers implementing the primary constraints are identified in terms of the ADM lapse and shift variables and Hamilton's equations are shown to be consistent with the Euler-Lagrange equations.

Cluster expansion for ground states of local Hamiltonians

Directory of Open Access Journals (Sweden)

Alvise Bastianello

2016-08-01

Full Text Available A central problem in many-body quantum physics is the determination of the ground state of a thermodynamically large physical system. We construct a cluster expansion for ground states of local Hamiltonians, which naturally incorporates physical requirements inherited by locality as conditions on its cluster amplitudes. Applying a diagrammatic technique we derive the relation of these amplitudes to thermodynamic quantities and local observables. Moreover we derive a set of functional equations that determine the cluster amplitudes for a general Hamiltonian, verify the consistency with perturbation theory and discuss non-perturbative approaches. Lastly we verify the persistence of locality features of the cluster expansion under unitary evolution with a local Hamiltonian and provide applications to out-of-equilibrium problems: a simplified proof of equilibration to the GGE and a cumulant expansion for the statistics of work, for an interacting-to-free quantum quench.

Hamiltonian reductions in plasma physics about intrinsic gyrokinetic

International Nuclear Information System (INIS)

Guillebon de Resnes, L. de

2013-01-01

Gyrokinetic is a key model for plasma micro-turbulence, commonly used for fusion plasmas or small-scale astrophysical turbulence, for instance. The model still suffers from several issues, which could imply to reconsider the equations. This thesis dissertation clarifies three of them. First, one of the coordinates caused questions, both from a physical and from a mathematical point of view; a suitable constrained coordinate is introduced, which removes the issues from the theory and explains the intrinsic structures underlying the questions. Second, the perturbative coordinate transformation for gyrokinetic was computed only at lowest orders; explicit induction relations are obtained to go arbitrary order in the expansion. Third, the introduction of the coupling between the plasma and the electromagnetic field was not completely satisfactory; using the Hamiltonian structure of the dynamics, it is implemented in a more appropriate way, with strong consequences on the gyrokinetic equations, especially about their Hamiltonian structure. In order to address these three main points, several other results are obtained, for instance about the origin of the guiding-center adiabatic invariant, about a very efficient minimal guiding center transformation, or about an intermediate Hamiltonian model between Vlasov-Maxwell and gyrokinetic, where the characteristics include both the slow guiding-center dynamics and the fast gyro-angle dynamics. In addition, various reduction methods are used, introduced or developed, e.g. a Lie-transform of the equations of motion, a lifting method to transfer particle reductions to the corresponding Hamiltonian field dynamics, or a truncation method related both to Dirac's theory of constraints and to a projection onto a Lie-subalgebra. Besides gyrokinetic, this is useful to clarify other Hamiltonian reductions in plasma physics, for instance for incompressible or electrostatic dynamics, for magnetohydrodynamics, or for fluid closures including

Convergence to equilibrium under a random Hamiltonian

Science.gov (United States)

Brandão, Fernando G. S. L.; Ćwikliński, Piotr; Horodecki, Michał; Horodecki, Paweł; Korbicz, Jarosław K.; Mozrzymas, Marek

2012-09-01

We analyze equilibration times of subsystems of a larger system under a random total Hamiltonian, in which the basis of the Hamiltonian is drawn from the Haar measure. We obtain that the time of equilibration is of the order of the inverse of the arithmetic average of the Bohr frequencies. To compute the average over a random basis, we compute the inverse of a matrix of overlaps of operators which permute four systems. We first obtain results on such a matrix for a representation of an arbitrary finite group and then apply it to the particular representation of the permutation group under consideration.

Continuum-time Hamiltonian for the Baxter's model

International Nuclear Information System (INIS)

Libero, V.L.

1983-01-01

The associated Hamiltonian for the symmetric eight-vertex model is obtained by taking the time-continuous limit in an equivalent Ashkin-Teller model. The result is a Heisenberg Hamiltonian with coefficients J sub(x), J sub(y) and J sub(z) identical to those found by Sutherland for choices of the parameters a, b, c and d that bring the model close to the transition. The change in the operators is accomplished explicitly, the relation between the crossover operator for the Ashkin-Teller model and the energy operator for the eight-vertex model being obtained in a transparent form. (Author) [pt

Quantum-circuit model of Hamiltonian search algorithms

International Nuclear Information System (INIS)

Roland, Jeremie; Cerf, Nicolas J.

2003-01-01

We analyze three different quantum search algorithms, namely, the traditional circuit-based Grover's algorithm, its continuous-time analog by Hamiltonian evolution, and the quantum search by local adiabatic evolution. We show that these algorithms are closely related in the sense that they all perform a rotation, at a constant angular velocity, from a uniform superposition of all states to the solution state. This makes it possible to implement the two Hamiltonian-evolution algorithms on a conventional quantum circuit, while keeping the quadratic speedup of Grover's original algorithm. It also clarifies the link between the adiabatic search algorithm and Grover's algorithm

Hamiltonian structure of the integrable coupling of the Jaulent-Miodek hierarchy

International Nuclear Information System (INIS)

Zhang, Yufeng; Fan, Engui

2006-01-01

A scheme for deducing Hamiltonian structures of the higher-dimensional hierarchies of evolution equations is presented which is devoting to obtaining the Hamiltonian structures of integrable coupling of the Jaulent-Miodek hierarchy

Toward a formalization of a two traders market with information exchange

International Nuclear Information System (INIS)

Bagarello, F; Haven, E

2015-01-01

This paper shows that Hamiltonians and operators can also be put to good use even in contexts which are not purely physics based. Consider the world of finance. The work presented here models a two traders system with information exchange with the help of four fundamental operators: cash and share operators, a portfolio operator, and an operator reflecting the loss of information. An information Hamiltonian is considered and an additional Hamiltonian is presented which reflects the dynamics of selling/buying shares between traders. An important result of the paper is that when the information Hamiltonian is zero, portfolio operators commute with the Hamiltonian and this suggests that the dynamics are really due to the information. Under the assumption that the interaction and information terms in the Hamiltonian have similar strength, a perturbation scheme is considered on the interaction parameter. Contrary to intuition, the paper shows that up to a second order in the interaction parameter, a key factor in the computation of the portfolios of traders will be the initial values of the loss of information (rather than the initial conditions on the cash and shares). Finally, the paper shows that a natural outcome from the inequality of the variation of the portfolio of trader one versus the variation of the portfolio of trader two, begs for the introduction of ‘good’ and ‘bad’ information. It is shown that ‘good’ information is related to the reservoirs (where an infinite set of bosonic operators are used) which model rumors/news and external facts, whilst ‘bad’ information is associated with a set of two modes bosonic operators. (paper)

Fabrication of micropillar substrates using replicas of alpha-particle irradiated and chemically etched PADC films

International Nuclear Information System (INIS)

Ng, C.K.M.; Chong, E.Y.W.; Roy, V.A.L.; Cheung, K.M.C.; Yeung, K.W.K.; Yu, K.N.

2012-01-01

We proposed a simple method to fabricate micropillar substrates. Polyallyldiglycol carbonate (PADC) films were irradiated by alpha particles and then chemically etched to form a cast with micron-scale spherical pores. A polydimethylsiloxane (PDMS) replica of this PADC film gave a micropillar substrate with micron-scale spherical pillars. HeLa cells cultured on such a micropillar substrate had significantly larger percentage of cells entering S-phase, attached cell numbers and cell spreading areas. - Highlights: ► We proposed a simple method to fabricate micropillar substrates. ► Polyallyldiglycol carbonate films were irradiated and etched to form casts. ► Polydimethylsiloxane replica then formed the micropillar substrates. ► Attachment and proliferation of HeLa cells were enhanced on these substrates.

Image-based visual servo control using the port-Hamiltonian Approach

NARCIS (Netherlands)

Muñoz Arias, Mauricio; El Hawwary, Mohamed; Scherpen, Jacquelien M.A.

2015-01-01

This work is devoted to an image-based visual servo control strategy for standard mechanical systems in the port-Hamiltonian framework. We utilize a change of variables that transforms the port-Hamiltonian system into one with constant mass-inertia matrix, and we use an interaction matrix that

Phase transitions in the Hubbard Hamiltonian

International Nuclear Information System (INIS)

Chaves, C.M.; Lederer, P.; Gomes, A.A.

1977-05-01

Phase transition in the isotropic non-degenerate Hubbard Hamiltonian within the renormalization group techniques is studied, using the epsilon = 4 - d expansion to first order in epsilon. The functional obtained from the Hubbard Hamiltonian displays full rotation symmetry and describes two coupled fields: a vector spin field, with n components and a non-soft scalar charge field. This coupling is pure imaginary, which has interesting consequences on the critical properties of this coupled field system. The effect of simple constraints imposed on the charge field is considered. The relevance of the coupling between the fields in producing Fisher renormalization of the critical exponents is discussed. The possible singularities introduced in the charge-charge correlation function by the coupling are also discussed

Hamiltonian partial differential equations and applications

CERN Document Server

Nicholls, David; Sulem, Catherine

2015-01-01

This book is a unique selection of work by world-class experts exploring the latest developments in Hamiltonian partial differential equations and their applications. Topics covered within are representative of the field’s wide scope, including KAM and normal form theories, perturbation and variational methods, integrable systems, stability of nonlinear solutions as well as applications to cosmology, fluid mechanics and water waves. The volume contains both surveys and original research papers and gives a concise overview of the above topics, with results ranging from mathematical modeling to rigorous analysis and numerical simulation. It will be of particular interest to graduate students as well as researchers in mathematics and physics, who wish to learn more about the powerful and elegant analytical techniques for Hamiltonian partial differential equations.

Diffusion Monte Carlo approach versus adiabatic computation for local Hamiltonians

Science.gov (United States)

Bringewatt, Jacob; Dorland, William; Jordan, Stephen P.; Mink, Alan

2018-02-01

Most research regarding quantum adiabatic optimization has focused on stoquastic Hamiltonians, whose ground states can be expressed with only real non-negative amplitudes and thus for whom destructive interference is not manifest. This raises the question of whether classical Monte Carlo algorithms can efficiently simulate quantum adiabatic optimization with stoquastic Hamiltonians. Recent results have given counterexamples in which path-integral and diffusion Monte Carlo fail to do so. However, most adiabatic optimization algorithms, such as for solving MAX-k -SAT problems, use k -local Hamiltonians, whereas our previous counterexample for diffusion Monte Carlo involved n -body interactions. Here we present a 6-local counterexample which demonstrates that even for these local Hamiltonians there are cases where diffusion Monte Carlo cannot efficiently simulate quantum adiabatic optimization. Furthermore, we perform empirical testing of diffusion Monte Carlo on a standard well-studied class of permutation-symmetric tunneling problems and similarly find large advantages for quantum optimization over diffusion Monte Carlo.

Path-integral isomorphic Hamiltonian for including nuclear quantum effects in non-adiabatic dynamics

Science.gov (United States)

Tao, Xuecheng; Shushkov, Philip; Miller, Thomas F.

2018-03-01

We describe a path-integral approach for including nuclear quantum effects in non-adiabatic chemical dynamics simulations. For a general physical system with multiple electronic energy levels, a corresponding isomorphic Hamiltonian is introduced such that Boltzmann sampling of the isomorphic Hamiltonian with classical nuclear degrees of freedom yields the exact quantum Boltzmann distribution for the original physical system. In the limit of a single electronic energy level, the isomorphic Hamiltonian reduces to the familiar cases of either ring polymer molecular dynamics (RPMD) or centroid molecular dynamics Hamiltonians, depending on the implementation. An advantage of the isomorphic Hamiltonian is that it can easily be combined with existing mixed quantum-classical dynamics methods, such as surface hopping or Ehrenfest dynamics, to enable the simulation of electronically non-adiabatic processes with nuclear quantum effects. We present numerical applications of the isomorphic Hamiltonian to model two- and three-level systems, with encouraging results that include improvement upon a previously reported combination of RPMD with surface hopping in the deep-tunneling regime.

Resolving the issue of branched Hamiltonian in modified Lanczos-Lovelock gravity

Science.gov (United States)

Ruz, Soumendranath; Mandal, Ranajit; Debnath, Subhra; Sanyal, Abhik Kumar

2016-07-01

The Hamiltonian constraint H_c = N{H} = 0, defines a diffeomorphic structure on spatial manifolds by the lapse function N in general theory of relativity. However, it is not manifest in Lanczos-Lovelock gravity, since the expression for velocity in terms of the momentum is multivalued. Thus the Hamiltonian is a branch function of momentum. Here we propose an extended theory of Lanczos-Lovelock gravity to construct a unique Hamiltonian in its minisuperspace version, which results in manifest diffeomorphic invariance and canonical quantization.

Axial displacement of abutments into implants and implant replicas, with the tapered cone-screw internal connection, as a function of tightening torque.

Science.gov (United States)

Dailey, Bruno; Jordan, Laurence; Blind, Olivier; Tavernier, Bruno

2009-01-01

The passive fit of a superstructure on implant abutments is essential to success. One source of error when using a tapered cone-screw internal connection may be the difference between the tightening torque level applied to the abutments by the laboratory technician compared to that applied by the treating clinician. The purpose of this study was to measure the axial displacement of tapered cone-screw abutments into implants and their replicas as a function of the tightening torque level. Twenty tapered cone-screw abutments were selected. Two groups were created: 10 abutments were secured into 10 implants, and 10 abutments were secured into 10 corresponding implant replicas. Each abutment was tightened in increasing increments of 5 Ncm, from 0 Ncm to 45 Ncm, with a torque controller. The length of each sample was measured repeatedly with an Electronic Digital Micrometer. The mean axial displacement for the implant group and the replica group was calculated. The data were analyzed by the Mann-Whitney and Spearman tests. For both groups, there was always an axial displacement of the abutment upon each incremental application of torque. The mean axial displacement values varied between 7 and 12 microm for the implant group and between 6 and 21 microm for the replica group at each 5-Ncm increment. From 0 to 45 Ncm, the total mean axial displacement values were 89 microm for the implant group and 122 microm for the replica group. There was a continuous axial displacement of the abutments into implants and implant replicas when the applied torque was raised from 0 to 45 Ncm. Torque applied above the level recommended by the manufacturer increased the difference in displacement between the two groups.

Single-step controlled-NOT logic from any exchange interaction

Science.gov (United States)

Galiautdinov, Andrei

2007-11-01

A self-contained approach to studying the unitary evolution of coupled qubits is introduced, capable of addressing a variety of physical systems described by exchange Hamiltonians containing Rabi terms. The method automatically determines both the Weyl chamber steering trajectory and the accompanying local rotations. Particular attention is paid to the case of anisotropic exchange with tracking controls, which is solved analytically. It is shown that, if computational subspace is well isolated, any exchange interaction can always generate high fidelity, single-step controlled-NOT (CNOT) logic, provided that both qubits can be individually manipulated. The results are then applied to superconducting qubit architectures, for which several CNOT gate implementations are identified. The paper concludes with consideration of two CNOT gate designs having high efficiency and operating with no significant leakage to higher-lying noncomputational states.

Time and a physical Hamiltonian for quantum gravity.

Science.gov (United States)

Husain, Viqar; Pawłowski, Tomasz

2012-04-06

We present a nonperturbative quantization of general relativity coupled to dust and other matter fields. The dust provides a natural time variable, leading to a physical Hamiltonian with spatial diffeomorphism symmetry. The surprising feature is that the Hamiltonian is not a square root. This property, together with the kinematical structure of loop quantum gravity, provides a complete theory of quantum gravity, and puts applications to cosmology, quantum gravitational collapse, and Hawking radiation within technical reach. © 2012 American Physical Society

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

Energy Technology Data Exchange (ETDEWEB)

Kabashima, Yoshiyuki [Department of Computational Intelligence and Systems Science, Tokyo Institute of technology, Yokohama 226-8502 (Japan)], E-mail: kaba@dis.titech.ac.jp

2009-12-01

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

On the topological entropy of an optical Hamiltonian flow

OpenAIRE

Niche, Cesar J.

2000-01-01

In this article we prove two formulas for the topological entropy of an F-optical Hamiltonian flow induced by a C^{\\infty} Hamiltonian, where F is a Lagrangian distribution. In these formulas, we calculate the topological entropy as the exponential growth rate of the average of the determinant of the differential of the flow, restricted to the Lagrangian distribution or to a proper modification.

Effective Hamiltonian for protected edge states in graphene

International Nuclear Information System (INIS)

Winkler, R.; Deshpande, H.

2017-01-01

Edge states in topological insulators (TIs) disperse symmetrically about one of the time-reversal invariant momenta Λ in the Brillouin zone (BZ) with protected degeneracies at Λ. Commonly TIs are distinguished from trivial insulators by the values of one or multiple topological invariants that require an analysis of the bulk band structure across the BZ. We propose an effective two-band Hamiltonian for the electronic states in graphene based on a Taylor expansion of the tight-binding Hamiltonian about the time-reversal invariant M point at the edge of the BZ. This Hamiltonian provides a faithful description of the protected edge states for both zigzag and armchair ribbons, though the concept of a BZ is not part of such an effective model. In conclusion, we show that the edge states are determined by a band inversion in both reciprocal and real space, which allows one to select Λ for the edge states without affecting the bulk spectrum.

Replica sizing strategy for aortic valve replacement improves haemodynamic outcome of the epic supra valve.

Science.gov (United States)

Gonzalez-Lopez, David; Faerber, Gloria; Diab, Mahmoud; Amorim, Paulo; Zeynalov, Natig; Doenst, Torsten

2017-10-01

Current sizing strategies suggest valve selection based on annulus diameter despite supra-annular placement of biological prostheses potentially allowing placement of a larger size. We assessed the frequency of selecting a larger prosthesis if prosthesis size was selected using a replica (upsizing) and evaluated its impact on haemodynamics. We analysed all discharge echocardiograms between June 2012 and June 2014, where a replica sizer was used for isolated aortic valve replacement (Epic Supra: 266 patients, Trifecta: 49 patients). Upsizing was possible in 71% of the Epic Supra valves (by 1 size: 168, by 2 sizes: 20) and in 59% of the Trifectas (by 1 size: 26, by 2 sizes: 3). Patients for whom upsizing was possible had the lowest pressure gradients within their annulus size groups. The difference was significant in annulus diameters of 21-22 or 25-26 mm (Epic Supra) and 23-24 mm (Trifecta). Trifecta gradients were the lowest. However, the ability to upsize the Epic Supra by 2 sizes eliminated the differences between Epic Supra and Trifecta. Upsizing did not cause intraoperative complications. Using replica sizers for aortic prosthesis size selection allows the implantation of bigger prostheses than recommended in most cases and reduces postoperative gradients, specifically for Epic Supra. © The Author 2017. Published by Oxford University Press on behalf of the European Association for Cardio-Thoracic Surgery. All rights reserved.

Lagrangian-Hamiltonian unified formalism for autonomous higher order dynamical systems

International Nuclear Information System (INIS)

Prieto-Martinez, Pedro Daniel; Roman-Roy, Narciso

2011-01-01

The Lagrangian-Hamiltonian unified formalism of Skinner and Rusk was originally stated for autonomous dynamical systems in classical mechanics. It has been generalized for non-autonomous first-order mechanical systems, as well as for first-order and higher order field theories. However, a complete generalization to higher order mechanical systems is yet to be described. In this work, after reviewing the natural geometrical setting and the Lagrangian and Hamiltonian formalisms for higher order autonomous mechanical systems, we develop a complete generalization of the Lagrangian-Hamiltonian unified formalism for these kinds of systems, and we use it to analyze some physical models from this new point of view. (paper)

Effective Hamiltonian theory: recent formal results and non-nuclear applications

International Nuclear Information System (INIS)

Brandow, B.H.

1981-01-01

Effective Hamiltonian theory is discussed from the points of view of the unitary transformation method and degenerate perturbation theory. It is shown that the two approaches are identical term by term. The main features of a formulation of the coupled-cluster method for open-shell systems are outlined. Finally, recent applications of the many-body linked-cluster form of degenerate perturbation theory are described: the derivation of effective spin Hamiltonians in magnetic insulator systems, the derivation and calculation ab initio of effective π-electron Hamiltonians for planar conjugated hydrocarbon molecules, and understanding the so-called valence fluctuation phenomenon exhibited by certain rare earth compounds

Generalized Bogoliubov Polariton Model: An Application to Stock Exchange Market

International Nuclear Information System (INIS)

Anh, Chu Thuy; Anh, Truong Thi Ngoc; Lan, Nguyen Tri; Viet, Nguyen Ai

2016-01-01

A generalized Bogoliubov method for investigation non-simple and complex systems was developed. We take two branch polariton Hamiltonian model in second quantization representation and replace the energies of quasi-particles by two distribution functions of research objects. Application to stock exchange market was taken as an example, where the changing the form of return distribution functions from Boltzmann-like to Gaussian-like was studied. (paper)

Hamiltonian description of bubble dynamics

International Nuclear Information System (INIS)

Maksimov, A. O.

2008-01-01

The dynamics of a nonspherical bubble in a liquid is described within the Hamiltonian formalism. Primary attention is focused on the introduction of the canonical variables into the computational algorithm. The expansion of the Dirichlet-Neumann operator in powers of the displacement of a bubble wall from an equilibrium position is obtained in the explicit form. The first three terms (more specifically, the second-, third-, and fourth-order terms) in the expansion of the Hamiltonian in powers of the canonical variables are determined. These terms describe the spectrum and interaction of three essentially different modes, i.e., monopole oscillations (pulsations), dipole oscillations (translational motions), and surface oscillations. The cubic nonlinearity is analyzed for the problem associated with the generation of Faraday ripples on the wall of a bubble in an acoustic field. The possibility of decay processes occurring in the course of interaction of surface oscillations for the first fifteen (experimentally observed) modes is investigated.

Hamiltonian PDEs and Frobenius manifolds

International Nuclear Information System (INIS)

Dubrovin, Boris A

2008-01-01

In the first part of this paper the theory of Frobenius manifolds is applied to the problem of classification of Hamiltonian systems of partial differential equations depending on a small parameter. Also developed is a deformation theory of integrable hierarchies including the subclass of integrable hierarchies of topological type. Many well-known examples of integrable hierarchies, such as the Korteweg-de Vries, non-linear Schroedinger, Toda, Boussinesq equations, and so on, belong to this subclass that also contains new integrable hierarchies. Some of these new integrable hierarchies may be important for applications. Properties of the solutions to these equations are studied in the second part. Consideration is given to the comparative study of the local properties of perturbed and unperturbed solutions near a point of gradient catastrophe. A Universality Conjecture is formulated describing the various types of critical behaviour of solutions to perturbed Hamiltonian systems near the point of gradient catastrophe of the unperturbed solution.

Hamiltonian PDEs and Frobenius manifolds

Energy Technology Data Exchange (ETDEWEB)

Dubrovin, Boris A [Steklov Mathematical Institute, Russian Academy of Sciences, Moscow (Russian Federation)

2008-12-31

In the first part of this paper the theory of Frobenius manifolds is applied to the problem of classification of Hamiltonian systems of partial differential equations depending on a small parameter. Also developed is a deformation theory of integrable hierarchies including the subclass of integrable hierarchies of topological type. Many well-known examples of integrable hierarchies, such as the Korteweg-de Vries, non-linear Schroedinger, Toda, Boussinesq equations, and so on, belong to this subclass that also contains new integrable hierarchies. Some of these new integrable hierarchies may be important for applications. Properties of the solutions to these equations are studied in the second part. Consideration is given to the comparative study of the local properties of perturbed and unperturbed solutions near a point of gradient catastrophe. A Universality Conjecture is formulated describing the various types of critical behaviour of solutions to perturbed Hamiltonian systems near the point of gradient catastrophe of the unperturbed solution.

A Hamiltonian approach to Thermodynamics

Energy Technology Data Exchange (ETDEWEB)

Baldiotti, M.C., E-mail: baldiotti@uel.br [Departamento de Física, Universidade Estadual de Londrina, 86051-990, Londrina-PR (Brazil); Fresneda, R., E-mail: rodrigo.fresneda@ufabc.edu.br [Universidade Federal do ABC, Av. dos Estados 5001, 09210-580, Santo André-SP (Brazil); Molina, C., E-mail: cmolina@usp.br [Escola de Artes, Ciências e Humanidades, Universidade de São Paulo, Av. Arlindo Bettio 1000, CEP 03828-000, São Paulo-SP (Brazil)

2016-10-15

In the present work we develop a strictly Hamiltonian approach to Thermodynamics. A thermodynamic description based on symplectic geometry is introduced, where all thermodynamic processes can be described within the framework of Analytic Mechanics. Our proposal is constructed on top of a usual symplectic manifold, where phase space is even dimensional and one has well-defined Poisson brackets. The main idea is the introduction of an extended phase space where thermodynamic equations of state are realized as constraints. We are then able to apply the canonical transformation toolkit to thermodynamic problems. Throughout this development, Dirac’s theory of constrained systems is extensively used. To illustrate the formalism, we consider paradigmatic examples, namely, the ideal, van der Waals and Clausius gases. - Highlights: • A strictly Hamiltonian approach to Thermodynamics is proposed. • Dirac’s theory of constrained systems is extensively used. • Thermodynamic equations of state are realized as constraints. • Thermodynamic potentials are related by canonical transformations.

A Hamiltonian approach to Thermodynamics

International Nuclear Information System (INIS)

Baldiotti, M.C.; Fresneda, R.; Molina, C.

2016-01-01

In the present work we develop a strictly Hamiltonian approach to Thermodynamics. A thermodynamic description based on symplectic geometry is introduced, where all thermodynamic processes can be described within the framework of Analytic Mechanics. Our proposal is constructed on top of a usual symplectic manifold, where phase space is even dimensional and one has well-defined Poisson brackets. The main idea is the introduction of an extended phase space where thermodynamic equations of state are realized as constraints. We are then able to apply the canonical transformation toolkit to thermodynamic problems. Throughout this development, Dirac’s theory of constrained systems is extensively used. To illustrate the formalism, we consider paradigmatic examples, namely, the ideal, van der Waals and Clausius gases. - Highlights: • A strictly Hamiltonian approach to Thermodynamics is proposed. • Dirac’s theory of constrained systems is extensively used. • Thermodynamic equations of state are realized as constraints. • Thermodynamic potentials are related by canonical transformations.

Multidimensional supersymmetric quantum mechanics: spurious states for the tensor sector two Hamiltonian.

Science.gov (United States)

Chou, Chia-Chun; Kouri, Donald J

2013-04-25

We show that there exist spurious states for the sector two tensor Hamiltonian in multidimensional supersymmetric quantum mechanics. For one-dimensional supersymmetric quantum mechanics on an infinite domain, the sector one and two Hamiltonians have identical spectra with the exception of the ground state of the sector one. For tensorial multidimensional supersymmetric quantum mechanics, there exist normalizable spurious states for the sector two Hamiltonian with energy equal to the ground state energy of the sector one. These spurious states are annihilated by the adjoint charge operator, and hence, they do not correspond to physical states for the original Hamiltonian. The Hermitian property of the sector two Hamiltonian implies the orthogonality between spurious and physical states. In addition, we develop a method for construction of a specific form of the spurious states for any quantum system and also generate several spurious states for a two-dimensional anharmonic oscillator system and for the hydrogen atom.

Inferring predator behavior from attack rates on prey-replicas that differ in conspicuousness.

Directory of Open Access Journals (Sweden)

Yoel E Stuart

Full Text Available 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.

Scattering theory of infrared divergent Pauli-Fierz Hamiltonians

CERN Document Server

Derezinski, J

2003-01-01

We consider in this paper the scattering theory of infrared divergent massless Pauli-Fierz Hamiltonians. We show that the CCR representations obtained from the asymptotic field contain so-called {\\em coherent sectors} describing an infinite number of asymptotically free bosons. We formulate some conjectures leading to mathematically well defined notion of {\\em inclusive and non-inclusive scattering cross-sections} for Pauli-Fierz Hamiltonians. Finally we give a general description of the scattering theory of QFT models in the presence of coherent sectors for the asymptotic CCR representations.

Spectral properties of almost-periodic Hamiltonians

International Nuclear Information System (INIS)

Lima, R.

1983-12-01

We give a description of some spectral properties of almost-periodic hamiltonians. We put the stress on some particular points of the proofs of the existence of absolutely continuous or pure point spectrum [fr

Integrable Hamiltonian systems and spectral theory

CERN Document Server

Moser, J

1981-01-01

Classical integrable Hamiltonian systems and isospectral deformations ; geodesics on an ellipsoid and the mechanical system of C. Neumann ; the Schrödinger equation for almost periodic potentials ; finite band potentials ; limit cases, Bargmann potentials.

Compact invariant sets of the Bianchi VIII and Bianchi IX Hamiltonian systems

International Nuclear Information System (INIS)

Starkov, Konstantin E.

2011-01-01

In this Letter we prove that all compact invariant sets of the Bianchi VIII Hamiltonian system are contained in the set described by several simple linear equalities and inequalities. Moreover, we describe invariant domains in which the phase flow of this system has no recurrence property and show that there are no periodic orbits and neither homoclinic, nor heteroclinic orbits contained in the zero level set of its Hamiltonian. Similar results are obtained for the Bianchi IX Hamiltonian system. -- Highlights: → Zero level set of Hamiltonian of Bianchi VIII/IX systems contains no periodic orbits. → Similar conditions for homoclinic/heteroclinic orbits are given. → General nonexistence conditions of compact invariant sets are got.

Compact invariant sets of the Bianchi VIII and Bianchi IX Hamiltonian systems

Energy Technology Data Exchange (ETDEWEB)

Starkov, Konstantin E., E-mail: konst@citedi.mx [CITEDI-IPN, Av. del Parque 1310, Mesa de Otay, Tijuana, BC (Mexico)

2011-08-22

In this Letter we prove that all compact invariant sets of the Bianchi VIII Hamiltonian system are contained in the set described by several simple linear equalities and inequalities. Moreover, we describe invariant domains in which the phase flow of this system has no recurrence property and show that there are no periodic orbits and neither homoclinic, nor heteroclinic orbits contained in the zero level set of its Hamiltonian. Similar results are obtained for the Bianchi IX Hamiltonian system. -- Highlights: → Zero level set of Hamiltonian of Bianchi VIII/IX systems contains no periodic orbits. → Similar conditions for homoclinic/heteroclinic orbits are given. → General nonexistence conditions of compact invariant sets are got.

On time-dependent Hamiltonian realizations of planar and nonplanar systems

Science.gov (United States)

Esen, Oğul; Guha, Partha

2018-04-01

In this paper, we elucidate the key role played by the cosymplectic geometry in the theory of time dependent Hamiltonian systems in 2 D. We generalize the cosymplectic structures to time-dependent Nambu-Poisson Hamiltonian systems and corresponding Jacobi's last multiplier for 3 D systems. We illustrate our constructions with various examples.

Self-adjoint Hamiltonians with a mass jump: General matching conditions

International Nuclear Information System (INIS)

Gadella, M.; Kuru, S.; Negro, J.

2007-01-01

The simplest position-dependent mass Hamiltonian in one dimension, where the mass has the form of a step function with a jump discontinuity at one point, is considered. The most general matching conditions at the jumping point for the solutions of the Schroedinger equation that provide a self-adjoint Hamiltonian are characterized

Instability in Hamiltonian systems

Directory of Open Access Journals (Sweden)

A. Pumarino

2005-11-01

Besides proving the existence of Arnold diffusion for a new family of three degrees of freedom Hamiltonian systems, another goal of this book is not only to show how Arnold-like results can be extended to substantially larger sets of parameters, but also how to obtain effective estimates on the splitting of separatrices size when the frequency of the perturbation belongs to open real sets.

Integrable quadratic classical Hamiltonians on so(4) and so(3, 1)

International Nuclear Information System (INIS)

Sokolov, Vladimir V; Wolf, Thomas

2006-01-01

We investigate a special class of quadratic Hamiltonians on so(4) and so(3, 1) and describe Hamiltonians that have additional polynomial integrals. One of the main results is a new integrable case with an integral of sixth degree

A possible method for non-Hermitian and Non-PT-symmetric Hamiltonian systems.

Directory of Open Access Journals (Sweden)

Jun-Qing Li

Full Text Available A possible method to investigate non-Hermitian Hamiltonians is suggested through finding a Hermitian operator η+ and defining the annihilation and creation operators to be η+ -pseudo-Hermitian adjoint to each other. The operator η+ represents the η+ -pseudo-Hermiticity of Hamiltonians. As an example, a non-Hermitian and non-PT-symmetric Hamiltonian with imaginary linear coordinate and linear momentum terms is constructed and analyzed in detail. The operator η+ is found, based on which, a real spectrum and a positive-definite inner product, together with the probability explanation of wave functions, the orthogonality of eigenstates, and the unitarity of time evolution, are obtained for the non-Hermitian and non-PT-symmetric Hamiltonian. Moreover, this Hamiltonian turns out to be coupled when it is extended to the canonical noncommutative space with noncommutative spatial coordinate operators and noncommutative momentum operators as well. Our method is applicable to the coupled Hamiltonian. Then the first and second order noncommutative corrections of energy levels are calculated, and in particular the reality of energy spectra, the positive-definiteness of inner products, and the related properties (the probability explanation of wave functions, the orthogonality of eigenstates, and the unitarity of time evolution are found not to be altered by the noncommutativity.

Noncanonical Hamiltonian density formulation of hydrodynamics and ideal MHD

International Nuclear Information System (INIS)

Morrison, P.J.; Greene, J.M.

1980-04-01

A new Hamiltonian density formulation of a perfect fluid with or without a magnetic field is presented. Contrary to previous work the dynamical variables are the physical variables, rho, v, B, and s, which form a noncanonical set. A Poisson bracket which satisfies the Jacobi identity is defined. This formulation is transformed to a Hamiltonian system where the dynamical variables are the spatial Fourier coefficients of the fluid variables

Fabrication of micropillar substrates using replicas of alpha-particle irradiated and chemically etched PADC films

Energy Technology Data Exchange (ETDEWEB)

Ng, C.K.M. [Department of Physics and Materials Science, City University of Hong Kong, Tat Chee Avenue, Kowloon Tong (Hong Kong); Chong, E.Y.W. [Department of Orthopaedics and Traumatology, University of Hong Kong (Hong Kong); Roy, V.A.L. [Department of Physics and Materials Science, City University of Hong Kong, Tat Chee Avenue, Kowloon Tong (Hong Kong); Cheung, K.M.C.; Yeung, K.W.K. [Department of Orthopaedics and Traumatology, University of Hong Kong (Hong Kong); Yu, K.N., E-mail: appetery@cityu.edu.hk [Department of Physics and Materials Science, City University of Hong Kong, Tat Chee Avenue, Kowloon Tong (Hong Kong)

2012-07-15

We proposed a simple method to fabricate micropillar substrates. Polyallyldiglycol carbonate (PADC) films were irradiated by alpha particles and then chemically etched to form a cast with micron-scale spherical pores. A polydimethylsiloxane (PDMS) replica of this PADC film gave a micropillar substrate with micron-scale spherical pillars. HeLa cells cultured on such a micropillar substrate had significantly larger percentage of cells entering S-phase, attached cell numbers and cell spreading areas. - Highlights: Black-Right-Pointing-Pointer We proposed a simple method to fabricate micropillar substrates. Black-Right-Pointing-Pointer Polyallyldiglycol carbonate films were irradiated and etched to form casts. Black-Right-Pointing-Pointer Polydimethylsiloxane replica then formed the micropillar substrates. Black-Right-Pointing-Pointer Attachment and proliferation of HeLa cells were enhanced on these substrates.

Continuous versus discrete structures II -- Discrete Hamiltonian systems and Helmholtz conditions

OpenAIRE

Cresson, Jacky; Pierret, Frédéric

2015-01-01

We define discrete Hamiltonian systems in the framework of discrete embeddings. An explicit comparison with previous attempts is given. We then solve the discrete Helmholtz's inverse problem for the discrete calculus of variation in the Hamiltonian setting. Several applications are discussed.

Super Hamiltonian structure of the even order SKP hierarchy without reduction

International Nuclear Information System (INIS)

Watanabe, Yoshihide

1987-01-01

The super Hamiltonian operator which is different from that of Manin and Radul is derived from the even order SKP hierarchy without reduction and in terms of the operator, the equation in the hierarchy is written in a Hamiltonian form. (orig.)

From GCM energy kernels to Weyl-Wigner Hamiltonians: a particular mapping

International Nuclear Information System (INIS)

Galetti, D.

1984-01-01

A particular mapping is established which directly connects GCM energy kernels to Weyl-Wigner Hamiltonians, under the assumption of gaussian overlap kernel. As an application of this mapping scheme the collective Hamiltonians for some giant resonances are derived. (Author) [pt

A progressive diagonalization scheme for the Rabi Hamiltonian

International Nuclear Information System (INIS)

Pan, Feng; Guan, Xin; Wang, Yin; Draayer, J P

2010-01-01

A diagonalization scheme for the Rabi Hamiltonian, which describes a qubit interacting with a single-mode radiation field via a dipole interaction, is proposed. It is shown that the Rabi Hamiltonian can be solved almost exactly using a progressive scheme that involves a finite set of one variable polynomial equations. The scheme is especially efficient for the lower part of the spectrum. Some low-lying energy levels of the model with several sets of parameters are calculated and compared to those provided by the recently proposed generalized rotating-wave approximation and a full matrix diagonalization.

Divide and conquer approach to quantum Hamiltonian simulation

Science.gov (United States)

Hadfield, Stuart; Papageorgiou, Anargyros

2018-04-01

We show a divide and conquer approach for simulating quantum mechanical systems on quantum computers. We can obtain fast simulation algorithms using Hamiltonian structure. Considering a sum of Hamiltonians we split them into groups, simulate each group separately, and combine the partial results. Simulation is customized to take advantage of the properties of each group, and hence yield refined bounds to the overall simulation cost. We illustrate our results using the electronic structure problem of quantum chemistry, where we obtain significantly improved cost estimates under very mild assumptions.

Hamiltonian cycles in polyhedral maps

Indian Academy of Sciences (India)

We present a necessary and sufficient condition for existence of a contractible, non-separating and non-contractible separating Hamiltonian cycle in the edge graph of polyhedral maps on surfaces.We also present algorithms to construct such cycles whenever it exists where one of them is linear time and another is ...

Lie transforms and their use in Hamiltonian perturbation theory

International Nuclear Information System (INIS)

Cary, J.R.

1978-06-01

A review is presented of the theory of Lie transforms as applied to Hamiltonian systems. We begin by presenting some general background on the Hamiltonian formalism and by introducing the operator notation for canonical transformations. We then derive the general theory of Lie transforms. We derive the formula for the new Hamiltonian when one uses a Lie transform to effect a canonical transformation, and we use Lie transforms to prove a very general version of Noether's theorem, or the symmetry-equals-invariant theorem. Next we use the general Lie transform theory to derive Deprit's perturbation theory. We illustrate this perturbation theory by application to two well-known problems in classical mechanics. Finally we present a chapter on conventions. There are many ways to develop Lie transforms. The last chapter explains the reasons for the choices made here

A current value Hamiltonian Approach for Discrete time Optimal Control Problems arising in Economic Growth

OpenAIRE

Naz, Rehana

2018-01-01

Pontrygin-type maximum principle is extended for the present value Hamiltonian systems and current value Hamiltonian systems of nonlinear difference equations for uniform time step $h$. A new method termed as a discrete time current value Hamiltonian method is established for the construction of first integrals for current value Hamiltonian systems of ordinary difference equations arising in Economic growth theory.

Simple model for deriving sdg interacting boson model Hamiltonians: 150Nd example

Science.gov (United States)

Devi, Y. D.; Kota, V. K. B.

1993-07-01

A simple and yet useful model for deriving sdg interacting boson model (IBM) Hamiltonians is to assume that single-boson energies derive from identical particle (pp and nn) interactions and proton, neutron single-particle energies, and that the two-body matrix elements for bosons derive from pn interaction, with an IBM-2 to IBM-1 projection of the resulting p-n sdg IBM Hamiltonian. The applicability of this model in generating sdg IBM Hamiltonians is demonstrated, using a single-j-shell Otsuka-Arima-Iachello mapping of the quadrupole and hexadecupole operators in proton and neutron spaces separately and constructing a quadrupole-quadrupole plus hexadecupole-hexadecupole Hamiltonian in the analysis of the spectra, B(E2)'s, and E4 strength distribution in the example of 150Nd.

Simple model for deriving sdg interacting boson model Hamiltonians: 150Nd example

International Nuclear Information System (INIS)

Devi, Y.D.; Kota, V.K.B.

1993-01-01

A simple and yet useful model for deriving sdg interacting boson model (IBM) Hamiltonians is to assume that single-boson energies derive from identical particle (pp and nn) interactions and proton, neutron single-particle energies, and that the two-body matrix elements for bosons derive from pn interaction, with an IBM-2 to IBM-1 projection of the resulting p-n sdg IBM Hamiltonian. The applicability of this model in generating sdg IBM Hamiltonians is demonstrated, using a single-j-shell Otsuka-Arima-Iachello mapping of the quadrupole and hexadecupole operators in proton and neutron spaces separately and constructing a quadrupole-quadrupole plus hexadecupole-hexadecupole Hamiltonian in the analysis of the spectra, B(E2)'s, and E4 strength distribution in the example of 150 Nd

Hamiltonian path integrals

International Nuclear Information System (INIS)

Prokhorov, L.V.

1982-01-01

Problems related to consideration of operator nonpermutability in Hamiltonian path integral (HPI) are considered in the review. Integrals are investigated using trajectories in configuration space (nonrelativistic quantum mechanics). Problems related to trajectory integrals in HPI phase space are discussed: the problem of operator nonpermutability consideration (extra terms problem) and corresponding equivalence rules; ambiguity of HPI usual recording; transition to curvilinear coordinates. Problem of quantization of dynamical systems with couplings has been studied. As in the case of canonical transformations, quantization of the systems with couplings of the first kind requires the consideration of extra terms

Replica Analysis for Portfolio Optimization with Single-Factor Model

Science.gov (United States)

Shinzato, Takashi

2017-06-01

In this paper, we use replica analysis to investigate the influence of correlation among the return rates of assets on the solution of the portfolio optimization problem. We consider the behavior of an optimal solution for the case where the return rate is described with a single-factor model and compare the findings obtained from our proposed methods with correlated return rates with those obtained with independent return rates. We then analytically assess the increase in the investment risk when correlation is included. Furthermore, we also compare our approach with analytical procedures for minimizing the investment risk from operations research.

Large-scale stochasticity in Hamiltonian systems

International Nuclear Information System (INIS)

Escande, D.F.

1982-01-01

Large scale stochasticity (L.S.S.) in Hamiltonian systems is defined on the paradigm Hamiltonian H(v,x,t) =v 2 /2-M cos x-P cos k(x-t) which describes the motion of one particle in two electrostatic waves. A renormalization transformation Tsub(r) is described which acts as a microscope that focusses on a given KAM (Kolmogorov-Arnold-Moser) torus in phase space. Though approximate, Tsub(r) yields the threshold of L.S.S. in H with an error of 5-10%. The universal behaviour of KAM tori is predicted: for instance the scale invariance of KAM tori and the critical exponent of the Lyapunov exponent of Cantori. The Fourier expansion of KAM tori is computed and several conjectures by L. Kadanoff and S. Shenker are proved. Chirikov's standard mapping for stochastic layers is derived in a simpler way and the width of the layers is computed. A simpler renormalization scheme for these layers is defined. A Mathieu equation for describing the stability of a discrete family of cycles is derived. When combined with Tsub(r), it allows to prove the link between KAM tori and nearby cycles, conjectured by J. Greene and, in particular, to compute the mean residue of a torus. The fractal diagrams defined by G. Schmidt are computed. A sketch of a methodology for computing the L.S.S. threshold in any two-degree-of-freedom Hamiltonian system is given. (Auth.)

Redesign of the DFT/MRCI Hamiltonian

Energy Technology Data Exchange (ETDEWEB)

Lyskov, Igor; Kleinschmidt, Martin; Marian, Christel M., E-mail: Christel.Marian@hhu.de [Institute of Theoretical and Computational Chemistry, Heinrich-Heine-University Düsseldorf, Universitätsstraße 1, 40225 Düsseldorf (Germany)

2016-01-21

The combined density functional theory and multireference configuration interaction (DFT/MRCI) method of Grimme and Waletzke [J. Chem. Phys. 111, 5645 (1999)] is a well-established semi-empirical quantum chemical method for efficiently computing excited-state properties of organic molecules. As it turns out, the method fails to treat bi-chromophores owing to the strong dependence of the parameters on the excitation class. In this work, we present an alternative form of correcting the matrix elements of a MRCI Hamiltonian which is built from a Kohn-Sham set of orbitals. It is based on the idea of constructing individual energy shifts for each of the state functions of a configuration. The new parameterization is spin-invariant and incorporates less empirism compared to the original formulation. By utilizing damping techniques together with an algorithm of selecting important configurations for treating static electron correlation, the high computational efficiency has been preserved. The robustness of the original and redesigned Hamiltonians has been tested on experimentally known vertical excitation energies of organic molecules yielding similar statistics for the two parameterizations. Besides that, our new formulation is free from artificially low-lying doubly excited states, producing qualitatively correct and consistent results for excimers. The way of modifying matrix elements of the MRCI Hamiltonian presented here shall be considered as default choice when investigating photophysical processes of bi-chromophoric systems such as singlet fission or triplet-triplet upconversion.

Accelerating Convergence in Molecular Dynamics Simulations of Solutes in Lipid Membranes by Conducting a Random Walk along the Bilayer Normal.

Science.gov (United States)

Neale, Chris; Madill, Chris; Rauscher, Sarah; Pomès, Régis

2013-08-13

All molecular dynamics simulations are susceptible to sampling errors, which degrade the accuracy and precision of observed values. The statistical convergence of simulations containing atomistic lipid bilayers is limited by the slow relaxation of the lipid phase, which can exceed hundreds of nanoseconds. These long conformational autocorrelation times are exacerbated in the presence of charged solutes, which can induce significant distortions of the bilayer structure. Such long relaxation times represent hidden barriers that induce systematic sampling errors in simulations of solute insertion. To identify optimal methods for enhancing sampling efficiency, we quantitatively evaluate convergence rates using generalized ensemble sampling algorithms in calculations of the potential of mean force for the insertion of the ionic side chain analog of arginine in a lipid bilayer. Umbrella sampling (US) is used to restrain solute insertion depth along the bilayer normal, the order parameter commonly used in simulations of molecular solutes in lipid bilayers. When US simulations are modified to conduct random walks along the bilayer normal using a Hamiltonian exchange algorithm, systematic sampling errors are eliminated more rapidly and the rate of statistical convergence of the standard free energy of binding of the solute to the lipid bilayer is increased 3-fold. We compute the ratio of the replica flux transmitted across a defined region of the order parameter to the replica flux that entered that region in Hamiltonian exchange simulations. We show that this quantity, the transmission factor, identifies sampling barriers in degrees of freedom orthogonal to the order parameter. The transmission factor is used to estimate the depth-dependent conformational autocorrelation times of the simulation system, some of which exceed the simulation time, and thereby identify solute insertion depths that are prone to systematic sampling errors and estimate the lower bound of the

A Monte Carlo procedure for Hamiltonians with small nonlocal correction terms

International Nuclear Information System (INIS)

Mack, G.; Pinn, K.

1986-03-01

We consider lattice field theories whose Hamiltonians contain small nonlocal correction terms. We propose to do simulations for an auxiliarly polymer system with field dependent activities. If a nonlocal correction term to the Hamiltonian is small, it need to be evaluated only rarely. (orig.)

Hamiltonian cycle problem and Markov chains

CERN Document Server

Borkar, Vivek S; Filar, Jerzy A; Nguyen, Giang T

2014-01-01

This book summarizes a line of research that maps certain classical problems of discrete mathematics and operations research - such as the Hamiltonian cycle and the Travelling Salesman problems - into convex domains where continuum analysis can be carried out.

Variable Delay in port-Hamiltonian Telemanipulation

NARCIS (Netherlands)

Secchi, C; Stramigioli, Stefano; Fantuzzi, C.

2006-01-01

In several applications involving bilateral telemanipulation, master and slave act at different power scales. In this paper a strategy for passively dealing with variable communication delay in scaled port-Hamiltonian based telemanipulation over packet switched networks is proposed.

Symplectic Integrators to Stochastic Hamiltonian Dynamical Systems Derived from Composition Methods

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Tetsuya Misawa

2010-01-01

Full Text Available “Symplectic” schemes for stochastic Hamiltonian dynamical systems are formulated through “composition methods (or operator splitting methods” proposed by Misawa (2001. In the proposed methods, a symplectic map, which is given by the solution of a stochastic Hamiltonian system, is approximated by composition of the stochastic flows derived from simpler Hamiltonian vector fields. The global error orders of the numerical schemes derived from the stochastic composition methods are provided. To examine the superiority of the new schemes, some illustrative numerical simulations on the basis of the proposed schemes are carried out for a stochastic harmonic oscillator system.

RG-Whitham dynamics and complex Hamiltonian systems

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A. Gorsky

2015-06-01

Full Text Available Inspired by the Seiberg–Witten exact solution, we consider some aspects of the Hamiltonian dynamics with the complexified phase space focusing at the renormalization group (RG-like Whitham behavior. We show that at the Argyres–Douglas (AD point the number of degrees of freedom in Hamiltonian system effectively reduces and argue that anomalous dimensions at AD point coincide with the Berry indexes in classical mechanics. In the framework of Whitham dynamics AD point turns out to be a fixed point. We demonstrate that recently discovered Dunne–Ünsal relation in quantum mechanics relevant for the exact quantization condition exactly coincides with the Whitham equation of motion in the Ω-deformed theory.

Symplectic and Hamiltonian structures of nonlinear evolution equations

International Nuclear Information System (INIS)

Dorfman, I.Y.

1993-01-01

A Hamiltonian structure on a finite-dimensional manifold can be introduced either by endowing it with a (pre)symplectic structure, or by describing the Poisson bracket with the help of a tensor with two upper indices named the Poisson structure. Under the assumption of nondegeneracy, the Poisson structure is nothing else than the inverse of the symplectic structure. Also in the degenerate case the distinction between the two approaches is almost insignificant, because both presymplectic and Poisson structures split into symplectic structures on leaves of appropriately chosen foliations. Hamiltonian structures that arise in the theory of evolution equations demonstrate something new in this respect: trying to operate in local terms, one is induced to develop both approaches independently. Hamiltonian operators, being the infinite-dimensional counterparts of Poisson structures, were the first to become the subject of investigations. A considerable period of time passed before the papers initiated research in the theory of symplectic operators, being the counterparts of presymplectic structures. In what follows, we focus on the main achievements in this field

Multiple Time-Step Dual-Hamiltonian Hybrid Molecular Dynamics - Monte Carlo Canonical Propagation Algorithm.

Science.gov (United States)

Chen, Yunjie; Kale, Seyit; Weare, Jonathan; Dinner, Aaron R; Roux, Benoît

2016-04-12

A multiple time-step integrator based on a dual Hamiltonian and a hybrid method combining molecular dynamics (MD) and Monte Carlo (MC) is proposed to sample systems in the canonical ensemble. The Dual Hamiltonian Multiple Time-Step (DHMTS) algorithm is based on two similar Hamiltonians: a computationally expensive one that serves as a reference and a computationally inexpensive one to which the workload is shifted. The central assumption is that the difference between the two Hamiltonians is slowly varying. Earlier work has shown that such dual Hamiltonian multiple time-step schemes effectively precondition nonlinear differential equations for dynamics by reformulating them into a recursive root finding problem that can be solved by propagating a correction term through an internal loop, analogous to RESPA. Of special interest in the present context, a hybrid MD-MC version of the DHMTS algorithm is introduced to enforce detailed balance via a Metropolis acceptance criterion and ensure consistency with the Boltzmann distribution. The Metropolis criterion suppresses the discretization errors normally associated with the propagation according to the computationally inexpensive Hamiltonian, treating the discretization error as an external work. Illustrative tests are carried out to demonstrate the effectiveness of the method.

Classical mechanics Hamiltonian and Lagrangian formalism

CERN Document Server

Deriglazov, Alexei

2016-01-01

This account of the fundamentals of Hamiltonian mechanics also covers related topics such as integral invariants and the Noether theorem. With just the elementary mathematical methods used for exposition, the book is suitable for novices as well as graduates.

Solving a Hamiltonian Path Problem with a bacterial computer

Directory of Open Access Journals (Sweden)

Treece Jessica

2009-07-01

Full Text Available Abstract Background The Hamiltonian Path Problem asks whether there is a route in a directed graph from a beginning node to an ending node, visiting each node exactly once. The Hamiltonian Path Problem is NP complete, achieving surprising computational complexity with modest increases in size. This challenge has inspired researchers to broaden the definition of a computer. DNA computers have been developed that solve NP complete problems. Bacterial computers can be programmed by constructing genetic circuits to execute an algorithm that is responsive to the environment and whose result can be observed. Each bacterium can examine a solution to a mathematical problem and billions of them can explore billions of possible solutions. Bacterial computers can be automated, made responsive to selection, and reproduce themselves so that more processing capacity is applied to problems over time. Results We programmed bacteria with a genetic circuit that enables them to evaluate all possible paths in a directed graph in order to find a Hamiltonian path. We encoded a three node directed graph as DNA segments that were autonomously shuffled randomly inside bacteria by a Hin/hixC recombination system we previously adapted from Salmonella typhimurium for use in Escherichia coli. We represented nodes in the graph as linked halves of two different genes encoding red or green fluorescent proteins. Bacterial populations displayed phenotypes that reflected random ordering of edges in the graph. Individual bacterial clones that found a Hamiltonian path reported their success by fluorescing both red and green, resulting in yellow colonies. We used DNA sequencing to verify that the yellow phenotype resulted from genotypes that represented Hamiltonian path solutions, demonstrating that our bacterial computer functioned as expected. Conclusion We successfully designed, constructed, and tested a bacterial computer capable of finding a Hamiltonian path in a three node

Solving a Hamiltonian Path Problem with a bacterial computer

Science.gov (United States)

Baumgardner, Jordan; Acker, Karen; Adefuye, Oyinade; Crowley, Samuel Thomas; DeLoache, Will; Dickson, James O; Heard, Lane; Martens, Andrew T; Morton, Nickolaus; Ritter, Michelle; Shoecraft, Amber; Treece, Jessica; Unzicker, Matthew; Valencia, Amanda; Waters, Mike; Campbell, A Malcolm; Heyer, Laurie J; Poet, Jeffrey L; Eckdahl, Todd T

2009-01-01

Background The Hamiltonian Path Problem asks whether there is a route in a directed graph from a beginning node to an ending node, visiting each node exactly once. The Hamiltonian Path Problem is NP complete, achieving surprising computational complexity with modest increases in size. This challenge has inspired researchers to broaden the definition of a computer. DNA computers have been developed that solve NP complete problems. Bacterial computers can be programmed by constructing genetic circuits to execute an algorithm that is responsive to the environment and whose result can be observed. Each bacterium can examine a solution to a mathematical problem and billions of them can explore billions of possible solutions. Bacterial computers can be automated, made responsive to selection, and reproduce themselves so that more processing capacity is applied to problems over time. Results We programmed bacteria with a genetic circuit that enables them to evaluate all possible paths in a directed graph in order to find a Hamiltonian path. We encoded a three node directed graph as DNA segments that were autonomously shuffled randomly inside bacteria by a Hin/hixC recombination system we previously adapted from Salmonella typhimurium for use in Escherichia coli. We represented nodes in the graph as linked halves of two different genes encoding red or green fluorescent proteins. Bacterial populations displayed phenotypes that reflected random ordering of edges in the graph. Individual bacterial clones that found a Hamiltonian path reported their success by fluorescing both red and green, resulting in yellow colonies. We used DNA sequencing to verify that the yellow phenotype resulted from genotypes that represented Hamiltonian path solutions, demonstrating that our bacterial computer functioned as expected. Conclusion We successfully designed, constructed, and tested a bacterial computer capable of finding a Hamiltonian path in a three node directed graph. This proof

General formalism of Hamiltonians for realizing a prescribed evolution of a qubit

International Nuclear Information System (INIS)

Tong, D.M.; Chen, J.-L.; Lai, C.H.; Oh, C.H.; Kwek, L.C.

2003-01-01

We investigate the inverse problem concerning the evolution of a qubit system, specifically we consider how one can establish the Hamiltonians that account for the evolution of a qubit along a prescribed path in the projected Hilbert space. For a given path, there are infinite Hamiltonians which can realize the same evolution. A general form of the Hamiltonians is constructed in which one may select the desired one for implementing a prescribed evolution. This scheme can be generalized to higher dimensional systems

Multi-Hamiltonian structure of Lotka-Volterra and quantum Volterra models

International Nuclear Information System (INIS)

Cronstroem, C.; Noga, M.

1995-01-01

We consider evolution equations of the Lotka-Volterra type, and elucidate especially their formulation as canonical Hamiltonian systems. The general conditions under which these equations admit several conserved quantities (multi-Hamiltonians) are analysed. A special case, which is related to the Liouville model on a lattice, is considered in detail, both as a classical and as a quantum system. (orig.)

On the time evolution operator for time-dependent quadratic Hamiltonians

International Nuclear Information System (INIS)

Fernandez, F.M.

1989-01-01

The Schroedinger equation with a time-dependent quadratic Hamiltonian is investigated. The time-evolution operator is written as a product of exponential operators determined by the Heisenberg equations of motion. This product operator is shown to be global in the occupation number representation when the Hamiltonian is Hermitian. The success of some physical applications of the product-form representation is explained

Purely non-local Hamiltonian formalism, Kohno connections and ∨-systems

International Nuclear Information System (INIS)

Arsie, Alessandro; Lorenzoni, Paolo

2014-01-01

In this paper, we extend purely non-local Hamiltonian formalism to a class of Riemannian F-manifolds, without assumptions on the semisimplicity of the product ○ or on the flatness of the connection ∇. In the flat case, we show that the recurrence relations for the principal hierarchy can be re-interpreted using a local and purely non-local Hamiltonian operators and in this case they split into two Lenard-Magri chains, one involving the even terms, the other involving the odd terms. Furthermore, we give an elementary proof that the Kohno property and the ∨-system condition are equivalent under suitable assumptions and we show how to associate a purely non-local Hamiltonian structure to any ∨-system, including degenerate ones

Spontaneous symmetry breaking and neutral stability in the noncanonical Hamiltonian formalism

International Nuclear Information System (INIS)

Morrison, P.J.; Eliezer, S.

1985-10-01

The noncanonical Hamiltonian formalism is based upon a generalization of the Poisson bracket, a particular form of which is possessed by continuous media fields. Associated with this generalization are special constants of motion called Casimirs. These are constants that can be viewed as being built into the phase space, for they are invariant for all Hamiltonians. Casimirs are important because when added to the Hamiltonian they yield an effective Hamiltonian that produces equilibrium states upon variation. The stability of these states can be ascertained by a second variation. Goldstone's theorem, in its usual context, determines zero eigenvalues of the mass matrix for a given vacuum state, the equilibrium with minimum energy. Here, since for fluids and plasmas the vacuum state is uninteresting, we examine symmetry breaking for general equilibria. Broken symmetries imply directions of neutral stability. Two examples are presented: the nonlinear Alfven wave of plasma physics and the Korteweg-de Vries soliton. 46 refs

Hamiltonian formulation of the supermembrane

International Nuclear Information System (INIS)

Bergshoeff, E.; Sezgin, E.; Tanii, Y.

1987-06-01

The Hamiltonian formulation of the supermembrane theory in eleven dimensions is given. The covariant split of the first and second class constraints is exhibited, and their Dirac brackets are computed. Gauge conditions are imposed in such a way that the reparametrizations of the membrane with divergence free 2-vectors are unfixed. (author). 10 refs

Hamiltonian thermodynamics of charged three-dimensional dilatonic black holes

International Nuclear Information System (INIS)

Dias, Goncalo A. S.; Lemos, Jose P. S.

2008-01-01

The action for a class of three-dimensional dilaton-gravity theories, with an electromagnetic Maxwell field and a cosmological constant, can be recast in a Brans-Dicke-Maxwell type action, with its free ω parameter. For a negative cosmological constant, these theories have static, electrically charged, and spherically symmetric black hole solutions. Those theories with well formulated asymptotics are studied through a Hamiltonian formalism, and their thermodynamical properties are found out. The theories studied are general relativity (ω→±∞), a dimensionally reduced cylindrical four-dimensional general relativity theory (ω=0), and a theory representing a class of theories (ω=-3), all with a Maxwell term. The Hamiltonian formalism is set up in three dimensions through foliations on the right region of the Carter-Penrose diagram, with the bifurcation 1-sphere as the left boundary, and anti-de Sitter infinity as the right boundary. The metric functions on the foliated hypersurfaces and the radial component of the vector potential one-form are the canonical coordinates. The Hamiltonian action is written, the Hamiltonian being a sum of constraints. One finds a new action which yields an unconstrained theory with two pairs of canonical coordinates (M,P M ;Q,P Q ), where M is the mass parameter, which for ω M is the conjugate momenta of M, Q is the charge parameter, and P Q is its conjugate momentum. The resulting Hamiltonian is a sum of boundary terms only. A quantization of the theory is performed. The Schroedinger evolution operator is constructed, the trace is taken, and the partition function of the grand canonical ensemble is obtained, where the chemical potential is the scalar electric field φ. Like the uncharged cases studied previously, the charged black hole entropies differ, in general, from the usual quarter of the horizon area due to the dilaton.

Hamiltonian formulation of reduced magnetohydrodynamics

International Nuclear Information System (INIS)

Morrison, P.J.; Hazeltine, R.D.

1983-07-01

Reduced magnetohydrodynamics (RMHD) has become a principal tool for understanding nonlinear processes, including disruptions, in tokamak plasmas. Although analytical studies of RMHD turbulence have been useful, the model's impressive ability to simulate tokamak fluid behavior has been revealed primarily by numerical solution. The present work describes a new analytical approach, not restricted to turbulent regimes, based on Hamiltonian field theory. It is shown that the nonlinear (ideal) RMHD system, in both its high-beta and low-beta versions, can be expressed in Hanmiltonian form. Thus a Poisson bracket, [ , ], is constructed such that each RMHD field quantitity, xi/sub i/, evolves according to xi/sub i/ = [xi/sub i/,H], where H is the total field energy. The new formulation makes RMHD accessible to the methodology of Hamiltonian mechanics; it has lead, in particular, to the recognition of new RMHD invariants and even exact, nonlinear RMHD solutions. A canonical version of the Poisson bracket, which requires the introduction of additional fields, leads to a nonlinear variational principle for time-dependent RMHD

Impact of Channel Estimation Errors on Multiuser Detection via the Replica Method

Directory of Open Access Journals (Sweden)

Li Husheng

2005-01-01

Full Text Available For practical wireless DS-CDMA systems, channel estimation is imperfect due to noise and interference. In this paper, the impact of channel estimation errors on multiuser detection (MUD is analyzed under the framework of the replica method. System performance is obtained in the large system limit for optimal MUD, linear MUD, and turbo MUD, and is validated by numerical results for finite systems.

Functional integral and effective Hamiltonian t-J-V model of strongly correlated electron system

International Nuclear Information System (INIS)

Belinicher, V.I.; Chertkov, M.V.

1990-09-01

The functional integral representation for the generating functional of t-J-V model is obtained. In the case close to half filling this functional integral representation reduces the conventional Hamiltonian of t-J-V model to the Hamiltonian of the system containing holes and spins 1/2 at each lattice size. This effective Hamiltonian coincides with that one obtained one of the authors by different method. This Hamiltonian and its dynamical variables can be used for description of different magnetic phases of t-J-V model. (author). 16 refs

Necessary conditions for super-integrability of Hamiltonian systems

Energy Technology Data Exchange (ETDEWEB)

Maciejewski, Andrzej J. [Institute of Astronomy, University of Zielona Gora, Podgorna 50, PL-65-246 Zielona Gora (Poland)], E-mail: maciejka@astro.ia.uz.zgora.pl; Przybylska, Maria [Torun Centre for Astronomy, N. Copernicus University, Gagarina 11, PL-87-100 Torun (Poland)], E-mail: maria.przybylska@astri.uni.torun.pl; Yoshida, Haruo [National Astronomical Observatory, 2-21-1 Osawa, Mitaka, 181-8588 Tokyo (Japan)], E-mail: h.yoshida@nao.ac.jp

2008-08-18

We formulate a general theorem which gives a necessary condition for the maximal super-integrability of a Hamiltonian system. This condition is expressed in terms of properties of the differential Galois group of the variational equations along a particular solution of the considered system. An application of this general theorem to natural Hamiltonian systems of n degrees of freedom with a homogeneous potential gives easily computable and effective necessary conditions for the super-integrability. To illustrate an application of the formulated theorems, we investigate: three known families of integrable potentials, and the three body problem on a line.

The intrinsic stochasticity of near-integrable Hamiltonian systems

Energy Technology Data Exchange (ETDEWEB)

Krlin, L [Ceskoslovenska Akademie Ved, Prague (Czechoslovakia). Ustav Fyziky Plazmatu

1989-09-01

Under certain conditions, the dynamics of near-integrable Hamiltonian systems appears to be stochastic. This stochasticity (intrinsic stochasticity, or deterministic chaos) is closely related to the Kolmogorov-Arnold-Moser (KAM) theorem of the stability of near-integrable multiperiodic Hamiltonian systems. The effect of the intrinsic stochasticity attracts still growing attention both in theory and in various applications in contemporary physics. The paper discusses the relation of the intrinsic stochasticity to the modern ergodic theory and to the KAM theorem, and describes some numerical experiments on related astrophysical and high-temperature plasma problems. Some open questions are mentioned in conclusion. (author).

Hamiltonian formulation of QCD in the Schwinger gauge

International Nuclear Information System (INIS)

Schutte, D.

1989-01-01

The structure of the Hamiltonian related to a regularized non-Abelian gauge field theory is discussed in the light of different choices for gauge-invariant wave functionals (loop space, Coulomb, axial, Schwinger gauge). Arguments are given for the suggestion that the Schwinger gauge offers a specially suited framework for the computation of bound-state (hadron) properties. The most important reasons are the manifest rotation invariance, the lack of a Gribov horizon (giving standard many-body techniques a better chance), and the fact that a regularization analogous to the lattice regularization is easily implementable. Some details of the Schwinger-gauge Hamiltonian theory are discussed

Quantum finance Hamiltonian for coupon bond European and barrier options.

Science.gov (United States)

Baaquie, Belal E

2008-03-01

Coupon bond European and barrier options are financial derivatives that can be analyzed in the Hamiltonian formulation of quantum finance. Forward interest rates are modeled as a two-dimensional quantum field theory and its Hamiltonian and state space is defined. European and barrier options are realized as transition amplitudes of the time integrated Hamiltonian operator. The double barrier option for a financial instrument is "knocked out" (terminated with zero value) if the price of the underlying instrument exceeds or falls below preset limits; the barrier option is realized by imposing boundary conditions on the eigenfunctions of the forward interest rates' Hamiltonian. The price of the European coupon bond option and the zero coupon bond barrier option are calculated. It is shown that, is general, the constraint function for a coupon bond barrier option can -- to a good approximation -- be linearized. A calculation using an overcomplete set of eigenfunctions yields an approximate price for the coupon bond barrier option, which is given in the form of an integral of a factor that results from the barrier condition times another factor that arises from the payoff function.

Hamiltonian dynamics on the symplectic extended phase space for autonomous and non-autonomous systems

International Nuclear Information System (INIS)

Struckmeier, Juergen

2005-01-01

We will present a consistent description of Hamiltonian dynamics on the 'symplectic extended phase space' that is analogous to that of a time-independent Hamiltonian system on the conventional symplectic phase space. The extended Hamiltonian H 1 and the pertaining extended symplectic structure that establish the proper canonical extension of a conventional Hamiltonian H will be derived from a generalized formulation of Hamilton's variational principle. The extended canonical transformation theory then naturally permits transformations that also map the time scales of the original and destination system, while preserving the extended Hamiltonian H 1 , and hence the form of the canonical equations derived from H 1 . The Lorentz transformation, as well as time scaling transformations in celestial mechanics, will be shown to represent particular canonical transformations in the symplectic extended phase space. Furthermore, the generalized canonical transformation approach allows us to directly map explicitly time-dependent Hamiltonians into time-independent ones. An 'extended' generating function that defines transformations of this kind will be presented for the time-dependent damped harmonic oscillator and for a general class of explicitly time-dependent potentials. In the appendix, we will re-establish the proper form of the extended Hamiltonian H 1 by means of a Legendre transformation of the extended Lagrangian L 1

Global stability and quadratic Hamiltonian structure in Lotka-Volterra and quasi-polynomial systems

Energy Technology Data Exchange (ETDEWEB)

Szederkenyi, Gabor; Hangos, Katalin M

2004-04-26

We show that the global stability of quasi-polynomial (QP) and Lotka-Volterra (LV) systems with the well-known logarithmic Lyapunov function is equivalent to the existence of a local generalized dissipative Hamiltonian description of the LV system with a diagonal quadratic form as a Hamiltonian function. The Hamiltonian function can be calculated and the quadratic dissipativity neighborhood of the origin can be estimated by solving linear matrix inequalities.

Global stability and quadratic Hamiltonian structure in Lotka-Volterra and quasi-polynomial systems

Science.gov (United States)

Szederkényi, Gábor; Hangos, Katalin M.

2004-04-01

We show that the global stability of quasi-polynomial (QP) and Lotka-Volterra (LV) systems with the well-known logarithmic Lyapunov function is equivalent to the existence of a local generalized dissipative Hamiltonian description of the LV system with a diagonal quadratic form as a Hamiltonian function. The Hamiltonian function can be calculated and the quadratic dissipativity neighborhood of the origin can be estimated by solving linear matrix inequalities.

Global stability and quadratic Hamiltonian structure in Lotka-Volterra and quasi-polynomial systems

International Nuclear Information System (INIS)

Szederkenyi, Gabor; Hangos, Katalin M.

2004-01-01

We show that the global stability of quasi-polynomial (QP) and Lotka-Volterra (LV) systems with the well-known logarithmic Lyapunov function is equivalent to the existence of a local generalized dissipative Hamiltonian description of the LV system with a diagonal quadratic form as a Hamiltonian function. The Hamiltonian function can be calculated and the quadratic dissipativity neighborhood of the origin can be estimated by solving linear matrix inequalities

Discrete variable representation for singular Hamiltonians

DEFF Research Database (Denmark)

Schneider, B. I.; Nygaard, Nicolai

2004-01-01

We discuss the application of the discrete variable representation (DVR) to Schrodinger problems which involve singular Hamiltonians. Unlike recent authors who invoke transformations to rid the eigenvalue equation of singularities at the cost of added complexity, we show that an approach based...

Hamiltonian reduction of Kac-Moody algebras

International Nuclear Information System (INIS)

Kimura, Kazuhiro

1991-01-01

Feigin-Fucks construction provides us methods to treat rational conformal theories in terms of free fields. This formulation enables us to describe partition functions and correlation functions in the Fock space of free fields. There are several attempt extending to supersymmetric theories. In this report authors present an explicit calculation of the Hamiltonian reduction based on the free field realization. In spite of the results being well-known, the relations can be clearly understood in the language of bosons. Authors perform the hamiltonian reduction by imposing a constraint with appropriate gauge transformations which preserve the constraint. This approaches enables us to gives the geometric interpretation of super Virasoro algebras and relations of the super gravity. In addition, author discuss the properties of quantum groups by using the explicit form of the group element. It is also interesting to extend to super Kac-Moody algebras. (M.N.)

Hamiltonian Dynamics of Doubly-Foliable Space-Times

Directory of Open Access Journals (Sweden)

Cecília Gergely

2018-01-01

Full Text Available The 2 + 1 + 1 decomposition of space-time is useful in monitoring the temporal evolution of gravitational perturbations/waves in space-times with a spatial direction singled-out by symmetries. Such an approach based on a perpendicular double foliation has been employed in the framework of dark matter and dark energy-motivated scalar-tensor gravitational theories for the discussion of the odd sector perturbations of spherically-symmetric gravity. For the even sector, however, the perpendicularity has to be suppressed in order to allow for suitable gauge freedom, recovering the 10th metric variable. The 2 + 1 + 1 decomposition of the Einstein–Hilbert action leads to the identification of the canonical pairs, the Hamiltonian and momentum constraints. Hamiltonian dynamics is then derived via Poisson brackets.

Effective Hamiltonian for high Tc Cu oxides

International Nuclear Information System (INIS)

Fukuyama, H.; Matsukawa, H.

1989-01-01

Effective Hamiltonian has been derived for CuO 2 layers in the presence of extra holes doped mainly into O-sites by taking both on-site and intersite Coulomb interaction into account. A special case with a single hole has been examined in detail. It is found that there exist various types of bound states, singlet and triplet with different spatial symmetry, below the hole bank continuum. The spatial extent of the Zhang-Rice singlet state, which is most stabilized, and the effective transfer integral between these singlet states are seen to be very sensitive to the relative magnitude of the direct and the indirect transfer integrals between O-sites. Effective Hamiltonian for the case of electron doping has also been derived

Boundary Hamiltonian Theory for Gapped Topological Orders

Science.gov (United States)

Hu, Yuting; Wan, Yidun; Wu, Yong-Shi

2017-06-01

We report our systematic construction of the lattice Hamiltonian model of topological orders on open surfaces, with explicit boundary terms. We do this mainly for the Levin-Wen string-net model. The full Hamiltonian in our approach yields a topologically protected, gapped energy spectrum, with the corresponding wave functions robust under topology-preserving transformations of the lattice of the system. We explicitly present the wavefunctions of the ground states and boundary elementary excitations. The creation and hopping operators of boundary quasi-particles are constructed. It is found that given a bulk topological order, the gapped boundary conditions are classified by Frobenius algebras in its input data. Emergent topological properties of the ground states and boundary excitations are characterized by (bi-) modules over Frobenius algebras.

Can model Hamiltonians describe the electron–electron interaction in π-conjugated systems?: PAH and graphene

International Nuclear Information System (INIS)

Chiappe, G; Louis, E; San-Fabián, E; Vergés, J A

2015-01-01

Model Hamiltonians have been, and still are, a valuable tool for investigating the electronic structure of systems for which mean field theories work poorly. This review will concentrate on the application of Pariser–Parr–Pople (PPP) and Hubbard Hamiltonians to investigate some relevant properties of polycyclic aromatic hydrocarbons (PAH) and graphene. When presenting these two Hamiltonians we will resort to second quantisation which, although not the way chosen in its original proposal of the former, is much clearer. We will not attempt to be comprehensive, but rather our objective will be to try to provide the reader with information on what kinds of problems they will encounter and what tools they will need to solve them. One of the key issues concerning model Hamiltonians that will be treated in detail is the choice of model parameters. Although model Hamiltonians reduce the complexity of the original Hamiltonian, they cannot be solved in most cases exactly. So, we shall first consider the Hartree–Fock approximation, still the only tool for handling large systems, besides density functional theory (DFT) approaches. We proceed by discussing to what extent one may exactly solve model Hamiltonians and the Lanczos approach. We shall describe the configuration interaction (CI) method, a common technology in quantum chemistry but one rarely used to solve model Hamiltonians. In particular, we propose a variant of the Lanczos method, inspired by CI, that has the novelty of using as the seed of the Lanczos process a mean field (Hartree–Fock) determinant (the method will be named LCI). Two questions of interest related to model Hamiltonians will be discussed: (i) when including long-range interactions, how crucial is including in the Hamiltonian the electronic charge that compensates ion charges? (ii) Is it possible to reduce a Hamiltonian incorporating Coulomb interactions (PPP) to an ‘effective’ Hamiltonian including only on-site interactions (Hubbard)? The

Hamiltonian approach to second order gauge invariant cosmological perturbations

Science.gov (United States)

Domènech, Guillem; Sasaki, Misao

2018-01-01

In view of growing interest in tensor modes and their possible detection, we clarify the definition of tensor modes up to 2nd order in perturbation theory within the Hamiltonian formalism. Like in gauge theory, in cosmology the Hamiltonian is a suitable and consistent approach to reduce the gauge degrees of freedom. In this paper we employ the Faddeev-Jackiw method of Hamiltonian reduction. An appropriate set of gauge invariant variables that describe the dynamical degrees of freedom may be obtained by suitable canonical transformations in the phase space. We derive a set of gauge invariant variables up to 2nd order in perturbation expansion and for the first time we reduce the 3rd order action without adding gauge fixing terms. In particular, we are able to show the relation between the uniform-ϕ and Newtonian slicings, and study the difference in the definition of tensor modes in these two slicings.

Transparency in port-Hamiltonian based telemanipulation

NARCIS (Netherlands)

Secchi, C; Stramigioli, Stefano; Fantuzzi, C.

2005-01-01

After stability, transparency is the major issue in the design of a telemanipulation system. In this paper we exploit a behavioral approach in order to provide an index for the evaluation of transparency in port-Hamiltonian based teleoperators. Furthermore we provide a transparency analysis of

Transparency in Port-Hamiltonian-Based Telemanipulation

NARCIS (Netherlands)

Secchi, Cristian; Stramigioli, Stefano; Fantuzzi, Cesare

After stability, transparency is the major issue in the design of a telemanipulation system. In this paper, we exploit the behavioral approach in order to provide an index for the evaluation of transparency in port-Hamiltonian-based teleoperators. Furthermore, we provide a transparency analysis of

Discrete variational Hamiltonian mechanics

International Nuclear Information System (INIS)

Lall, S; West, M

2006-01-01

The main contribution of this paper is to present a canonical choice of a Hamiltonian theory corresponding to the theory of discrete Lagrangian mechanics. We make use of Lagrange duality and follow a path parallel to that used for construction of the Pontryagin principle in optimal control theory. We use duality results regarding sensitivity and separability to show the relationship between generating functions and symplectic integrators. We also discuss connections to optimal control theory and numerical algorithms

Three-Dimensional Interpretation of Sculptural Heritage with Digital and Tangible 3D Printed Replicas

Science.gov (United States)

Saorin, José Luis; Carbonell-Carrera, Carlos; Cantero, Jorge de la Torre; Meier, Cecile; Aleman, Drago Diaz

2017-01-01

Spatial interpretation features as a skill to acquire in the educational curricula. The visualization and interpretation of three-dimensional objects in tactile devices and the possibility of digital manufacturing with 3D printers, offers an opportunity to include replicas of sculptures in teaching and, thus, facilitate the 3D interpretation of…

PHYSICAL DISABILITY, STIGMA, AND PHYSICAL ACTIVITY IN CHILDREN: A REPLICA STUDY

Directory of Open Access Journals (Sweden)

Markus GEBHARDT

2016-04-01

Full Text Available Introduction: Stereotypes can be reduced through positive descriptions. A stigma that able-bodied adults have towards children with physical disability can be reduced when the child is portrayed as being active. The study found out that a sporty active child, who uses a wheelchair, is perceived as more competent than the sporty active able-bodied child. Objective: This study is a replica study to support the hypotheses and to examine the stereotypes of able-bodied adults towards children with and without (physical disabilities. Methods: This study presents two experimental replica studies using a 2 (physical activity x 2 (sporty activities. The dependent variables were the perception of competencies and warmth according to Stereotype Content Model (SCM. Study 1 is an online experiment with 355 students of the Open University of Hagen. Study 2 surveys 1176 participants (from Munich and Graz with a paper-pencil-questionnaire. Results: The significant interaction effect was not supported by our studies. The sporty able-bodied child was rated higher in competences than the sporty child, who use a wheelchair. Sporting activity only reduces the stigma towards children with a physical disability slightly. Conclusion: The stigma towards children with physical disability can be reduced when the child is portrayed as being active, but the effect was not strong enough to chance the original classification by the SCM.

A novel scheme for Liouville's equation with a discontinuous Hamiltonian and applications to geometrical optics

NARCIS (Netherlands)

Lith, van B.S.; Thije Boonkkamp, ten J.H.M.; IJzerman, W.L.; Tukker, T.W.

2015-01-01

We compute numerical solutions of Liouville's equation with a discontinuous Hamiltonian. We assume that the underlying Hamiltonian system has a well-defined behaviour even when the Hamiltonian is discontinuous. In the case of geometrical optics such a discontinuity yields the familiar Snell's law or

A novel scheme for Liouville's equation with a discontinuous Hamiltonian and applications to geometrical optics

NARCIS (Netherlands)

van Lith, B.S.; ten Thije Boonkkamp, J.H.M.; IJzerman, W.L.; Tukker, T.W.

A novel scheme is developed that computes numerical solutions of Liouville’s equation with a discontinuous Hamiltonian. It is assumed that the underlying Hamiltonian system has well-defined behaviour even when the Hamiltonian is discontinuous. In the case of geometrical optics such a discontinuity

Symmetry-adaptation and selection rules for effective crystal field Hamiltonians

International Nuclear Information System (INIS)

Tuszynski, J.A.

1986-01-01

The intention of this paper is to systematically derive an effective Hamiltonian in the presence of crystal fields in such a way as to incorporate relativistic effects and higher order perturbation corrections including configuration mixing. This Hamiltonian will then be conveniently represented as a symmetry-adapted series of one- and two-body double tensor operators whose matrix elements will be analyzed for selection rules. 16 references, 4 tables

Variational and penalization methods for studying connecting orbits of Hamiltonian systems

Directory of Open Access Journals (Sweden)

Chao-Nien Chen

2000-08-01

Full Text Available In this article, we consider a class of second order Hamiltonian systems that possess infinite or finite number of equilibria. Variational arguments will be used to study the existence of connecting orbits joining pairs of equilibria. Applying penalization methods, we obtain various patterns for multibump homoclinics and heteroclinics of Hamiltonian systems.

A geometric Hamiltonian description of composite quantum systems and quantum entanglement

Science.gov (United States)

Pastorello, Davide

2015-05-01

Finite-dimensional Quantum Mechanics can be geometrically formulated as a proper classical-like Hamiltonian theory in a projective Hilbert space. The description of composite quantum systems within the geometric Hamiltonian framework is discussed in this paper. As summarized in the first part of this work, in the Hamiltonian formulation the phase space of a quantum system is the Kähler manifold given by the complex projective space P(H) of the Hilbert space H of the considered quantum theory. However the phase space of a bipartite system must be P(H1 ⊗ H2) and not simply P(H1) × P(H2) as suggested by the analogy with Classical Mechanics. A part of this paper is devoted to manage this problem. In the second part of the work, a definition of quantum entanglement and a proposal of entanglement measure are given in terms of a geometrical point of view (a rather studied topic in recent literature). Finally two known separability criteria are implemented in the Hamiltonian formalism.

Interpolation approach to Hamiltonian-varying quantum systems and the adiabatic theorem

International Nuclear Information System (INIS)

Pan, Yu; James, Matthew R.; Miao, Zibo; Amini, Nina H.; Ugrinovskii, Valery

2015-01-01

Quantum control could be implemented by varying the system Hamiltonian. According to adiabatic theorem, a slowly changing Hamiltonian can approximately keep the system at the ground state during the evolution if the initial state is a ground state. In this paper we consider this process as an interpolation between the initial and final Hamiltonians. We use the mean value of a single operator to measure the distance between the final state and the ideal ground state. This measure resembles the excitation energy or excess work performed in thermodynamics, which can be taken as the error of adiabatic approximation. We prove that under certain conditions, this error can be estimated for an arbitrarily given interpolating function. This error estimation could be used as guideline to induce adiabatic evolution. According to our calculation, the adiabatic approximation error is not linearly proportional to the average speed of the variation of the system Hamiltonian and the inverse of the energy gaps in many cases. In particular, we apply this analysis to an example in which the applicability of the adiabatic theorem is questionable. (orig.)

Construction of Vibronic Diabatic Hamiltonian for Excited-State Electron and Energy Transfer Processes.

Science.gov (United States)

Xie, Yu; Jiang, Shengshi; Zheng, Jie; Lan, Zhenggang

2017-12-21

Photoinduced excited-state electron and energy transfer processes are crucial in biological photoharvesting systems and organic photovoltaic devices. We discuss the construction of a diabatic vibronic Hamiltonian for the proper treatment of these processes involving the projection approach acting on both electronic wave functions and vibrational modes. In the electronic part, the wave function projection approach is used to construct the diabatic Hamiltonian in which both local excited states and charge-transfer states are included on the same footing. For the vibrational degrees of freedom, the vibronic couplings in the diabatic Hamiltonian are obtained in the basis of the pseudonormal modes localized on each monomer site by applying delocalized-to-localized mode projection. This systematic approach allows us to construct the vibronic diabatic Hamiltonian in molecular aggregates.

Painlevé IV Hamiltonian systems and coherent states

International Nuclear Information System (INIS)

Bermudez, D; Contreras-Astorga, A; Fernández C, D J

2015-01-01

Schrödinger Hamiltonians with third-order differential ladder operators are linked to the Painlevé IV equation. Some of these appear from applying SUSY QM to the harmonic oscillator. Departing from them, we will build coherent states as eigenstates of the annihilation operator, then as displaced versions of the extremal states, both involving the third-order ladder operators, and finally as displaced extremal states using linearized ladder operators. To each Hamiltonian corresponds two families of coherent states for fixed ladder operators: one in the infinite dimension subspace associated with the oscillator spectrum and another in the finite dimension one generated by the eigenstates created by SUSY QM. (paper)

Phase transition in the non-degenerate Hubbard Hamiltonian

International Nuclear Information System (INIS)

Chaves, C.M.; Lederer, P.; Gomes, A.A.

1976-01-01

Phase transition in the isotropic non-degenerate Hubbard Hamiltonian within the renormalization group techniques, using the epsilon = 4 - d expansion to first order in epsilon, is studied. The functional obtained from the Hubbard Hamiltonian displays full rotation symmetry and describes two coupled fields: a vector spin field, with n components and a non-soft scalar charge field. The possibility of tricritical behavior then emerges. The effects of simple constraints imposed on the charge field is considered. The relevance of the coupling between the fields in producing Fisher renormalization of the critical exponents is discussed. The possible singularities introduced in the charge-charge correlation function by the coupling are also discussed

Floquet-Green function formalism for harmonically driven Hamiltonians

International Nuclear Information System (INIS)

Martinez, D F

2003-01-01

A method is proposed for the calculation of the Floquet-Green function of a general Hamiltonian with harmonic time dependence. We use matrix continued fractions to derive an expression for the 'dynamical effective potential' that can be used to calculate the Floquet-Green function of the system. We demonstrate the formalism for the simple case of a space-periodic (in the tight-binding approximation) Hamiltonian with a defect whose on-site energy changes harmonically with time. We study the local density of states for this system and the behaviour of the localized states as a function of the different parameters that characterize the system

Passivation controller design for turbo-generators based on generalised Hamiltonian system theory

NARCIS (Netherlands)

Cao, M.; Shen, T.L.; Song, Y.H.

2002-01-01

A method of pre-feedback to formulate the generalised forced Hamiltonian system model for speed governor control systems is proposed. Furthermore, passivation controllers are designed based on the scheme of Hamiltonian structure for single machne infinite bus and multimachine power systems. In

Lagrangian and Hamiltonian Formulation of Transmission Line Systems with Boundary Energy Flow

NARCIS (Netherlands)

Jeltsema, Dimitri; Schaft, Arjan J. van der

The classical Lagrangian and Hamiltonian formulation of an electrical transmission line is reviewed and extended to allow for varying boundary conditions, The method is based on the definition of an infinite-dimensional analogue of the affine Lagrangian and Hamiltonian input-output systems

An integrable Hamiltonian hierarchy and its constrained flows with generalized Hamiltonian regular representations, as well as its expanding integrable system

International Nuclear Information System (INIS)

Zhang Yufeng

2003-01-01

A new subalgebra of loop algebra A-tilde 2 is first constructed. It follows that an isospectral problem is established. Using Tu-pattern gives rise to a new integrable hierarchy, which possesses bi-Hamiltonian structure. As its reduction cases, the well-known standard Schrodinger equation and MKdV equation are presented, respectively. Furthermore, by making use of bi-symmetry constraints, generalized Hamiltonian regular representations for the hierarchy are obtained. At last, we obtain an expanding integrable system of this hierarchy by applying a scalar transformation between two isospectral problems and constructing a five-dimensional loop algebra G-tilde. In particular, the expanding integrable models of Schrodinger equation and MKdV equation are presented, respectively

Hamiltonian structure of gravitational field theory

International Nuclear Information System (INIS)

Rayski, J.

1992-01-01

Hamiltonian generalizations of Einstein's theory of gravitation introducing a laminar structure of spacetime are discussed. The concepts of general relativity and of quasi-inertial coordinate systems are extended beyond their traditional scope. Not only the metric, but also the coordinate system, if quantized, undergoes quantum fluctuations

Adaptive control of port-Hamiltonian systems

NARCIS (Netherlands)

Dirksz, D.A.; Scherpen, J.M.A.; Edelmayer, András

2010-01-01

In this paper an adaptive control scheme is presented for general port-Hamiltonian systems. Adaptive control is used to compensate for control errors that are caused by unknown or uncertain parameter values of a system. The adaptive control is also combined with canonical transformation theory for

Port-Hamiltonian Systems on Open Graphs

NARCIS (Netherlands)

Schaft, A.J. van der; Maschke, B.M.

2010-01-01

In this talk we discuss how to define in an intrinsic manner port-Hamiltonian dynamics on open graphs. Open graphs are graphs where some of the vertices are boundary vertices (terminals), which allow interconnection with other systems. We show that a directed graph carries two natural Dirac

Hamiltonian theory of vacuum helical torus lines of magnetic force

International Nuclear Information System (INIS)

Gnudi, Giovanni; Hatori, Tadatsugu

1994-01-01

For making plasma into equilibrium state, the lines of magnetic force must have magnetic surfaces. However in a helical system, space is divided into the region having magnetic surface structure and the region that does not have it. Accordingly, it is an important basic research for the plasma confinement in a helical system to examine where is the boundary of both regions and how is the large area structure of the lines of magnetic force in the boundary region. The lines of magnetic force can be treated as a Hamilton mechanics system, and it has been proved that the Hamiltonian for the lines of magnetic force can be expressed by a set of canonical variables and the function of time. In this research, the Hamiltonian that describes the lines of magnetic force of helical system torus coordination in vacuum was successfully determined concretely. Next, the development of new linear symplectic integration method was carried out. The important supports for the theory of determining Hamiltonian are Lie transformation and paraxial expansion. The procedure is explained. In Appendix, Lie transformation, Hamiltonian for the lines of magnetic force, magnetic potential, Taylor expansion of the potential, cylindrical limit approximation, helical toroidal potential and integrable model are described. (K.I.)

Partial quantization of Lagrangian-Hamiltonian systems

International Nuclear Information System (INIS)

Amaral, C.M. do; Soares Filho, P.C.

1979-05-01

A classical variational principle is constructed in the Weiss form, for dynamical systems with support spaces of the configuration-phase kind. This extended principle rules the dynamics of classical systems, partially Hamiltonian, in interaction with Lagrangean parameterized subsidiary dynamics. The variational family of equations obtained, consists of an equation of the Hamilton-Jacobi type, coupled to a family of differential equations of the Euler-Lagrange form. The basic dynamical function appearing in the equations is a function of the Routh kind. By means of an ansatz induced by the variationally obtained family, a generalized set of equation, is proposed constituted by a wave equation of Schroedinger type, coupled to a family of equations formaly analog to those Euler-Lagrange equations. A basic operator of Routh type appears in our generalized set of equations. This operator describes the interaction between a quantized Hamiltonian dynamics, with a parameterized classical Lagrangean dynamics in semi-classical closed models. (author) [pt

Multi-Hamiltonian formulations and stability of higher-derivative extensions of 3d Chern-Simons

Energy Technology Data Exchange (ETDEWEB)

Abakumova, V.A.; Kaparulin, D.S.; Lyakhovich, S.L. [Tomsk State University, Physics Faculty, Tomsk (Russian Federation)

2018-02-15

Most general third-order 3d linear gauge vector field theory is considered. The field equations involve, besides the mass, two dimensionless constant parameters. The theory admits two-parameter series of conserved tensors with the canonical energy-momentum being a particular representative of the series. For a certain range of the model parameters, the series of conserved tensors include bounded quantities. This makes the dynamics classically stable, though the canonical energy is unbounded in all the instances. The free third-order equations are shown to admit constrained multi-Hamiltonian form with the 00-components of conserved tensors playing the roles of corresponding Hamiltonians. The series of Hamiltonians includes the canonical Ostrogradski's one, which is unbounded. The Hamiltonian formulations with different Hamiltonians are not connected by canonical transformations. This means, the theory admits inequivalent quantizations at the free level. Covariant interactions are included with spinor fields such that the higher-derivative dynamics remains stable at interacting level if the bounded conserved quantity exists in the free theory. In the first-order formalism, the interacting theory remains Hamiltonian and therefore it admits quantization, though the vertices are not necessarily Lagrangian in the third-order field equations. (orig.)

Problems with the definition of renormalized Hamiltonians for momentum-space renormalization transformations

NARCIS (Netherlands)

Enter, Aernout C.D. van; Fernández, Roberto

For classical lattice systems with finite (Ising) spins, we show that the implementation of momentum-space renormalization at the level of Hamiltonians runs into the same type of difficulties as found for real-space transformations: Renormalized Hamiltonians are ill-defined in certain regions of the

Blocking Radial Diffusion in a Double-Waved Hamiltonian Model

International Nuclear Information System (INIS)

Martins, Caroline G L; De Carvalho, R Egydio; Marcus, F A; Caldas, I L

2011-01-01

A non-twist Hamiltonian system perturbed by two waves with particular wave numbers can present Robust Tori, barriers created by the vanishing of the perturbing Hamiltonian at some defined positions. When Robust Tori exist, any trajectory in phase space passing close to them is blocked by emergent invariant curves that prevent the chaotic transport. We analyze the breaking up of the RT as well the transport dependence on the wave numbers and on the wave amplitudes. Moreover, we report the chaotic web formation in the phase space and how this pattern influences the transport.

Some sufficient conditions for Hamiltonian property in terms of ...

Indian Academy of Sciences (India)

[1, D], or Wf (G) ≥ f (1). 2 n2 + [f(2) − 3. 2 f(1)]n − 2[f(2) − f(1)] for a monotonically decreasing function f(x) on x ∈ [1, D], then G is Hamiltonian, unless G ∼= K∗ n or K2∨3K1. Proof. Assume that G is not a Hamiltonian graph with degree sequence (d1,d2,...,dn), where d1 ≤ d2 ≤ ··· ≤ dn and n ≥ 3. By Lemma 1, there is a ...

Noether symmetries and integrability in time-dependent Hamiltonian mechanics

Directory of Open Access Journals (Sweden)

Jovanović Božidar

2016-01-01

Full Text Available We consider Noether symmetries within Hamiltonian setting as transformations that preserve Poincaré-Cartan form, i.e., as symmetries of characteristic line bundles of nondegenerate 1-forms. In the case when the Poincaré-Cartan form is contact, the explicit expression for the symmetries in the inverse Noether theorem is given. As examples, we consider natural mechanical systems, in particular the Kepler problem. Finally, we prove a variant of the theorem on complete (non-commutative integrability in terms of Noether symmetries of time-dependent Hamiltonian systems.

Constraints and Hamiltonian in light-front quantized field theory

International Nuclear Information System (INIS)

Srivastava, P.P.

1993-01-01

Self-consistent hamiltonian formulation of scalar theory on the null plane is constructed and quantized following the Dirac procedure. The theory contains also constraint equations which would give, if solved, to a nonlocal Hamiltonian. In contrast to the equal-time formulation we obtain a different description of the spontaneous symmetry breaking in the continuum and the symmetry generators are found to annihilate the light-front vacuum. Two examples are given where the procedure cannot be applied self-consistently. The corresponding theories are known to be ill-defined from the equal-time quantization. (author)

The mathematics of a quantum Hamiltonian computing half adder Boolean logic gate

International Nuclear Information System (INIS)

Dridi, G; Julien, R; Hliwa, M; Joachim, C

2015-01-01

The mathematics behind the quantum Hamiltonian computing (QHC) approach of designing Boolean logic gates with a quantum system are given. Using the quantum eigenvalue repulsion effect, the QHC AND, NAND, OR, NOR, XOR, and NXOR Hamiltonian Boolean matrices are constructed. This is applied to the construction of a QHC half adder Hamiltonian matrix requiring only six quantum states to fullfil a half Boolean logical truth table. The QHC design rules open a nano-architectronic way of constructing Boolean logic gates inside a single molecule or atom by atom at the surface of a passivated semi-conductor. (paper)

The mathematics of a quantum Hamiltonian computing half adder Boolean logic gate.

Science.gov (United States)

Dridi, G; Julien, R; Hliwa, M; Joachim, C

2015-08-28

The mathematics behind the quantum Hamiltonian computing (QHC) approach of designing Boolean logic gates with a quantum system are given. Using the quantum eigenvalue repulsion effect, the QHC AND, NAND, OR, NOR, XOR, and NXOR Hamiltonian Boolean matrices are constructed. This is applied to the construction of a QHC half adder Hamiltonian matrix requiring only six quantum states to fullfil a half Boolean logical truth table. The QHC design rules open a nano-architectronic way of constructing Boolean logic gates inside a single molecule or atom by atom at the surface of a passivated semi-conductor.

Construction of Hamiltonians by supervised learning of energy and entanglement spectra

Science.gov (United States)

Fujita, Hiroyuki; Nakagawa, Yuya O.; Sugiura, Sho; Oshikawa, Masaki

2018-02-01

Correlated many-body problems ubiquitously appear in various fields of physics such as condensed matter, nuclear, and statistical physics. However, due to the interplay of the large number of degrees of freedom, it is generically impossible to treat these problems from first principles. Thus the construction of a proper model, namely, effective Hamiltonian, is essential. Here, we propose a simple supervised learning algorithm for constructing Hamiltonians from given energy or entanglement spectra. We apply the proposed scheme to the Hubbard model at the half-filling, and compare the obtained effective low-energy spin model with several analytic results based on the high-order perturbation theory, which have been inconsistent with each other. We also show that our approach can be used to construct the entanglement Hamiltonian of a quantum many-body state from its entanglement spectrum as well. We exemplify this using the ground states of the S =1 /2 two-leg Heisenberg ladders. We observe a qualitative difference between the entanglement Hamiltonians of the two phases (the Haldane and the rung singlet phase) of the model due to the different origin of the entanglement. In the Haldane phase, we find that the entanglement Hamiltonian is nonlocal by nature, and the locality can be restored by introducing the anisotropy and turning the ground state into the large-D phase. Possible applications to the model construction from experimental data and to various problems of strongly correlated systems are discussed.

Effective Hamiltonians, two level systems, and generalized Maxwell-Bloch equations

International Nuclear Information System (INIS)

Sczaniecki, L.

1981-02-01

A new method is proposed involving a canonical transformation leading to the non-secular part of time-independent perturbation calculus. The method is used to derive expressions for effective Shen-Walls Hamiltonians which, taken in the two-level approximation and on the inclusion of non-Hamiltonian terms into the dynamics of the system, lead to generalized Maxwell-Bloch equations. The rotating wave approximation is written anew within the framework of our formalism. (author)

Homoclinic Orbits for a Class of Nonperiodic Hamiltonian Systems with Some Twisted Conditions

Directory of Open Access Journals (Sweden)

Qi Wang

2013-01-01

Full Text Available By the Maslov index theory, we will study the existence and multiplicity of homoclinic orbits for a class of asymptotically linear nonperiodic Hamiltonian systems with some twisted conditions on the Hamiltonian functions.

Computation of many-particle quantum trajectories with exchange interaction: application to the simulation of nanoelectronic devices

International Nuclear Information System (INIS)

Alarcón, A; Yaro, S; Cartoixà, X; Oriols, X

2013-01-01

Following Oriols (2007 Phys. Rev. Lett. 98 066803), an algorithm to deal with the exchange interaction in non-separable quantum systems is presented. The algorithm can be applied to fermions or bosons and, by construction, it exactly ensures that any observable is totally independent of the interchange of particles. It is based on the use of conditional Bohmian wave functions which are solutions of single-particle pseudo-Schrödinger equations. The exchange symmetry is directly defined by demanding symmetry properties of the quantum trajectories in the configuration space with a universal algorithm, rather than through a particular exchange–correlation functional introduced into the single-particle pseudo-Schrödinger equation. It requires the computation of N 2 conditional wave functions to deal with N identical particles. For separable Hamiltonians, the algorithm reduces to the standard Slater determinant for fermions (or permanent for bosons). A numerical test for a two-particle system, where exact solutions for non-separable Hamiltonians are computationally accessible, is presented. The numerical viability of the algorithm for quantum electron transport (in a far-from-equilibrium time-dependent open system) is demonstrated by computing the current and fluctuations in a nano-resistor, with exchange and Coulomb interactions among electrons. (paper)

Quantum mechanical path integrals with Wiener measures for all polynomial Hamiltonians

International Nuclear Information System (INIS)

Klauder, J.R.; Daubechies, I.

We construct arbitrary matrix elements of the quantum evolution operator for a wide class of self-adjoint canonical Hamiltonians, including those which are polynomial in the Heisenberg operators, as the limit of well-defined path integrals involving Wiener measure on phase space, as a diffusion constant diverges. A related construction achieves a similar result for an arbitrary spin Hamiltonian. (orig.)

Hamiltonian Chaos and Fractional Dynamics

International Nuclear Information System (INIS)

Combescure, M

2005-01-01

This book provides an introduction and discussion of the main issues in the current understanding of classical Hamiltonian chaos, and of its fractional space-time structure. It also develops the most complex and open problems in this context, and provides a set of possible applications of these notions to some fundamental questions of dynamics: complexity and entropy of systems, foundation of classical statistical physics on the basis of chaos theory, and so on. Starting with an introduction of the basic principles of the Hamiltonian theory of chaos, the book covers many topics that can be found elsewhere in the literature, but which are collected here for the readers' convenience. In the last three parts, the author develops topics which are not typically included in the standard textbooks; among them are: - the failure of the traditional description of chaotic dynamics in terms of diffusion equations; - he fractional kinematics, its foundation and renormalization group analysis; - 'pseudo-chaos', i.e. kinetics of systems with weak mixing and zero Lyapunov exponents; - directional complexity and entropy. The purpose of this book is to provide researchers and students in physics, mathematics and engineering with an overview of many aspects of chaos and fractality in Hamiltonian dynamical systems. In my opinion it achieves this aim, at least provided researchers and students (mainly those involved in mathematical physics) can complement this reading with comprehensive material from more specialized sources which are provided as references and 'further reading'. Each section contains introductory pedagogical material, often illustrated by figures coming from several numerical simulations which give the feeling of what's going on, and thus is very useful to the reader who is not very familiar with the topics presented. Some problems are included at the end of most sections to help the reader to go deeper into the subject. My one regret is that the book does not

A modified chaos-based communication scheme using Hamiltonian forms and observer

International Nuclear Information System (INIS)

Lopez-Mancilla, D; Cruz-Hernandez, C; Posadas-Castillo, C

2005-01-01

In this work, a modified chaos-based communication scheme is presented. In particular, we use the modified scheme proposed by Lopez-Mancilla and Cruz-Hernandez (2005), that improves the basic scheme for chaotic masking using a single transmission channel proposed by Cuomo and coworkers (1993). It is extended for a special class of Generalized Hamiltonian systems. Substantial differences that significantly affect the reception quality of the sent message, with or without considering noise effect in the transmission channel are given. We use two Hamiltonian Lorenz systems unidirectionally coupled, the first like a master/transmitter system and the other like a slave/receiver system in order to illustrate with numerical simulations the effectiveness of the modified scheme, using chaos synchronization with Hamiltonian forms and observer

The Schwinger Model on S 1: Hamiltonian Formulation, Vacuum and Anomaly

Science.gov (United States)

Stuart, David

2014-12-01

We present a Hamiltonian formulation of the Schwinger model with spatial domain taken to be the circle. It is shown that, in Coulomb gauge, the Hamiltonian is a semi-bounded, self-adjoint operator which is invariant under the group of large gauge transformations. There is a nontrivial action of on fermionic Fock space and its vacuum. This action plays a role analogous to that played by the spectral flow in the infinite Dirac sea formalism. The formulation allows (1) a description of the anomaly and its relation to the group action, and (2) an explicit identification of the vacuum. The anomaly in the chiral conservation law appears as a consequence of insisting upon semi-boundedness and gauge invariance of the quantized Hamiltonian.

A modified chaos-based communication scheme using Hamiltonian forms and observer

Energy Technology Data Exchange (ETDEWEB)

Lopez-Mancilla, D [Engineering Faculty, Baja California Autonomous University (UABC), Km. 103, Carretera Tijuana-Ensenada, 22860, Ensenada, B.C. (Mexico); Cruz-Hernandez, C [Telematics Direction, Scientific Research and Advanced Studies of Ensenada (CICESE), Km. 107 Carretera Tijuana-Ensenada, 22860 Ensenada, B.C. (Mexico); Posadas-Castillo, C [Engineering Faculty, Baja California Autonomous University (UABC), Km. 103, Carretera Tijuana-Ensenada, 22860, Ensenada, B.C. (Mexico); Faculty of Engineering Mechanic and Electrical (FIME), Nuevo Leon Autonomous University (UANL), Pedro de alba s/n Cd. Universitaria San Nicolas de los Garza N.L. (Mexico)

2005-01-01

In this work, a modified chaos-based communication scheme is presented. In particular, we use the modified scheme proposed by Lopez-Mancilla and Cruz-Hernandez (2005), that improves the basic scheme for chaotic masking using a single transmission channel proposed by Cuomo and coworkers (1993). It is extended for a special class of Generalized Hamiltonian systems. Substantial differences that significantly affect the reception quality of the sent message, with or without considering noise effect in the transmission channel are given. We use two Hamiltonian Lorenz systems unidirectionally coupled, the first like a master/transmitter system and the other like a slave/receiver system in order to illustrate with numerical simulations the effectiveness of the modified scheme, using chaos synchronization with Hamiltonian forms and observer.

Symmetry and resonance in Hamiltonian systems

NARCIS (Netherlands)

Tuwankotta, J.M.; Verhulst, F.

2000-01-01

In this paper we study resonances in two degrees of freedom, autonomous, hamiltonian systems. Due to the presence of a symmetry condition on one of the degrees of freedom, we show that some of the resonances vanish as lower order resonances. After giving a sharp estimate of the resonance domain, we

Symmetry and resonance in Hamiltonian systems

NARCIS (Netherlands)

Tuwankotta, J.M.; Verhulst, F.

1999-01-01

In this paper we study resonances in two degrees of freedom, autonomous, hamiltonian systems. Due to the presence of a symmetry condition on one of the degrees of freedom, we show that some of the resonances vanish as lower order resonances. After determining the size of the resonance domain, we

arXiv Lightcone Effective Hamiltonians and RG Flows

CERN Document Server

Fitzpatrick, A. Liam; Katz, Emanuel; Vitale, Lorenzo G.; Walters, Matthew T.

We present a prescription for an effective lightcone (LC) Hamiltonian that includes the effects of zero modes, focusing on the case of Conformal Field Theories (CFTs) deformed by relevant operators. We show how the prescription resolves a number of issues with LC quantization, including i) the apparent non-renormalization of the vacuum, ii) discrepancies in critical values of bare parameters in equal-time vs LC quantization, and iii) an inconsistency at large N in CFTs with simple AdS duals. We describe how LC quantization can drastically simplify Hamiltonian truncation methods applied to some large N CFTs, and discuss how the prescription identifies theories where these simplifications occur. We demonstrate and check our prescription in a number of examples.

Riemannian geometry of Hamiltonian chaos: hints for a general theory.

Science.gov (United States)

Cerruti-Sola, Monica; Ciraolo, Guido; Franzosi, Roberto; Pettini, Marco

2008-10-01

We aim at assessing the validity limits of some simplifying hypotheses that, within a Riemmannian geometric framework, have provided an explanation of the origin of Hamiltonian chaos and have made it possible to develop a method of analytically computing the largest Lyapunov exponent of Hamiltonian systems with many degrees of freedom. Therefore, a numerical hypotheses testing has been performed for the Fermi-Pasta-Ulam beta model and for a chain of coupled rotators. These models, for which analytic computations of the largest Lyapunov exponents have been carried out in the mentioned Riemannian geometric framework, appear as paradigmatic examples to unveil the reason why the main hypothesis of quasi-isotropy of the mechanical manifolds sometimes breaks down. The breakdown is expected whenever the topology of the mechanical manifolds is nontrivial. This is an important step forward in view of developing a geometric theory of Hamiltonian chaos of general validity.

Hamiltonians and variational principles for Alfvén simple waves

International Nuclear Information System (INIS)

Webb, G M; Hu, Q; Roux, J A le; Dasgupta, B; Zank, G P

2012-01-01

The evolution equations for the magnetic field induction B with the wave phase for Alfvén simple waves are expressed as variational principles and in the Hamiltonian form. The evolution of B with the phase (which is a function of the space and time variables) depends on the generalized Frenet–Serret equations, in which the wave normal n (which is a function of the phase) is taken to be tangent to a curve X, in a 3D Cartesian geometry vector space. The physical variables (the gas density, fluid velocity, gas pressure and magnetic field induction) in the wave depend only on the phase. Three approaches are developed. One approach exploits the fact that the Frenet equations may be written as a 3D Hamiltonian system, which can be described using the Nambu bracket. It is shown that B as a function of the phase satisfies a modified version of the Frenet equations, and hence the magnetic field evolution equations can be expressed in the Hamiltonian form. A second approach develops an Euler–Poincaré variational formulation. A third approach uses the Frenet frame formulation, in which the hodograph of B moves on a sphere of constant radius and uses a stereographic projection transformation due to Darboux. The equations for the projected field components reduce to a complex Riccati equation. By using a Cole–Hopf transformation, the Riccati equation reduces to a linear second order differential equation for the new variable. A Hamiltonian formulation of the second order differential equation then allows the system to be written in the Hamiltonian form. Alignment dynamics equations for Alfvén simple waves give rise to a complex Riccati equation or, equivalently, to a quaternionic Riccati equation, which can be mapped onto the Riccati equation obtained by stereographic projection. (paper)

Jacobi fields of completely integrable Hamiltonian systems

International Nuclear Information System (INIS)

Giachetta, G.; Mangiarotti, L.; Sardanashvily, G.

2003-01-01

We show that Jacobi fields of a completely integrable Hamiltonian system of m degrees of freedom make up an extended completely integrable system of 2m degrees of freedom, where m additional first integrals characterize a relative motion

Air parcels and air particles: Hamiltonian dynamics

NARCIS (Netherlands)

Bokhove, Onno; Lynch, Peter

We present a simple Hamiltonian formulation of the Euler equations for fluid flow in the Lagrangian framework. In contrast to the conventional formulation, which involves coupled partial differential equations, our "innovative'' mathematical formulation involves only ordinary differential equations

Quadratic time dependent Hamiltonians and separation of variables

International Nuclear Information System (INIS)

Anzaldo-Meneses, A.

2017-01-01

Time dependent quantum problems defined by quadratic Hamiltonians are solved using canonical transformations. The Green’s function is obtained and a comparison with the classical Hamilton–Jacobi method leads to important geometrical insights like exterior differential systems, Monge cones and time dependent Gaussian metrics. The Wei–Norman approach is applied using unitary transformations defined in terms of generators of the associated Lie groups, here the semi-direct product of the Heisenberg group and the symplectic group. A new explicit relation for the unitary transformations is given in terms of a finite product of elementary transformations. The sequential application of adequate sets of unitary transformations leads naturally to a new separation of variables method for time dependent Hamiltonians, which is shown to be related to the Inönü–Wigner contraction of Lie groups. The new method allows also a better understanding of interacting particles or coupled modes and opens an alternative way to analyze topological phases in driven systems. - Highlights: • Exact unitary transformation reducing time dependent quadratic quantum Hamiltonian to zero. • New separation of variables method and simultaneous uncoupling of modes. • Explicit examples of transformations for one to four dimensional problems. • New general evolution equation for quadratic form in the action, respectively Green’s function.

Universal localizing bounds for compact invariant sets of natural polynomial Hamiltonian systems

International Nuclear Information System (INIS)

Starkov, Konstantin E.

2008-01-01

In this Letter we study the localization problem of compact invariant sets of natural Hamiltonian systems with a polynomial Hamiltonian. Our results are based on applying the first order extremum conditions. We compute universal localizing bounds for some domain containing all compact invariant sets of a Hamiltonian system by using one quadratic function of a simple form. These bounds depend on the value of the total energy of the system, degree and some coefficients of a potential and, in addition, some positive number got as a result of a solution of one maximization problem. Besides, under some quasihomogeneity condition(s) we generalize our construction of the localization set

Universal localizing bounds for compact invariant sets of natural polynomial Hamiltonian systems

Energy Technology Data Exchange (ETDEWEB)

Starkov, Konstantin E. [CITEDI-IPN, Av. del Parque 1310, Mesa de Otay, Tijuana, BC (Mexico)], E-mail: konst@citedi.mx

2008-10-06

In this Letter we study the localization problem of compact invariant sets of natural Hamiltonian systems with a polynomial Hamiltonian. Our results are based on applying the first order extremum conditions. We compute universal localizing bounds for some domain containing all compact invariant sets of a Hamiltonian system by using one quadratic function of a simple form. These bounds depend on the value of the total energy of the system, degree and some coefficients of a potential and, in addition, some positive number got as a result of a solution of one maximization problem. Besides, under some quasihomogeneity condition(s) we generalize our construction of the localization set.

Extended hamiltonian formalism and Lorentz-violating lagrangians

Directory of Open Access Journals (Sweden)

Don Colladay

2017-09-01

Full Text Available A new perspective on the classical mechanical formulation of particle trajectories in Lorentz-violating theories is presented. Using the extended hamiltonian formalism, a Legendre Transformation between the associated covariant lagrangian and hamiltonian varieties is constructed. This approach enables calculation of trajectories using Hamilton's equations in momentum space and the Euler–Lagrange equations in velocity space away from certain singular points that arise in the theory. Singular points are naturally de-singularized by requiring the trajectories to be smooth functions of both velocity and momentum variables. In addition, it is possible to identify specific sheets of the dispersion relations that correspond to specific solutions for the lagrangian. Examples corresponding to bipartite Finsler functions are computed in detail. A direct connection between the lagrangians and the field-theoretic solutions to the Dirac equation is also established for a special case.

Extended hamiltonian formalism and Lorentz-violating lagrangians

Science.gov (United States)

Colladay, Don

2017-09-01

A new perspective on the classical mechanical formulation of particle trajectories in Lorentz-violating theories is presented. Using the extended hamiltonian formalism, a Legendre Transformation between the associated covariant lagrangian and hamiltonian varieties is constructed. This approach enables calculation of trajectories using Hamilton's equations in momentum space and the Euler-Lagrange equations in velocity space away from certain singular points that arise in the theory. Singular points are naturally de-singularized by requiring the trajectories to be smooth functions of both velocity and momentum variables. In addition, it is possible to identify specific sheets of the dispersion relations that correspond to specific solutions for the lagrangian. Examples corresponding to bipartite Finsler functions are computed in detail. A direct connection between the lagrangians and the field-theoretic solutions to the Dirac equation is also established for a special case.

Transition density of charge-exchange processes

International Nuclear Information System (INIS)

Lovas, R.G.

1983-01-01

The transition density between parent and analogue states is studied with special reference to its role in charge-exchange nuclear reactions. The structure of the target nucleus is described in a perturbative approach, in which the Coulomb and asymmetry potentials mix the eigenstates of a charge-independent single-particle Hamiltonian. In this model formulae are derived for the transition density, the Coulomb displacement energy and the neutron-proton density difference, and their relationship is used to estimate the transition density. This estimate shows that: the largest contribution comes from the density of the excess neutrons; the weight of the Coulomb-mixing effect is small up to excess neutron number 10, and grows rapidly beyond; the weight of the core polarization term induced by the excess neutrons is modest and is the same for all nuclei. It is indicated that the Coulomb effect may explain the departure from the Lane model of nucleon charge-exchange scattering found for heavy nuclei, whereas the core polarization may account for the observed anomalous dependence of the deg 0 pion charge-exchange cross section on the number of excess neutrons. (author)

Astrophysical evidence for the non-Hermitian but PT-symmetric Hamiltonian of conformal gravity

International Nuclear Information System (INIS)

Mannheim, P.D.

2013-01-01

In this review we discuss the connection between two seemingly disparate topics, macroscopic gravity on astrophysical scales and Hamiltonians that are not Hermitian but PT symmetric on microscopic ones. In particular we show that the quantum-mechanical unitarity problem of the fourth-order derivative conformal gravity theory is resolved by recognizing that the scalar product appropriate to the theory is not the Dirac norm associated with a Hermitian Hamiltonian but is instead the norm associated with a non-Hermitian but PT-symmetric Hamiltonian. Moreover, the fourth-order theory Hamiltonian is not only not Hermitian, it is not even diagonalizable, being of Jordan-block form. With PT symmetry we establish that conformal gravity is consistent at the quantum-mechanical level. In consequence, we can apply the theory to data, to find that the theory is capable of naturally accounting for the systematics of the rotation curves of a large and varied sample of 138 spiral galaxies without any need for dark matter. The success of the fits provides evidence for the relevance of non-diagonalizable but PT-symmetric Hamiltonians to physics. (Copyright copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

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

Science.gov (United States)

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.

A Class of Hamiltonians for a Three-Particle Fermionic System at Unitarity

Energy Technology Data Exchange (ETDEWEB)

Correggi, M., E-mail: michele.correggi@gmail.com [Università degli Studi Roma Tre, Largo San Leonardo Murialdo 1, Dipartimento di Matematica e Fisica (Italy); Dell’Antonio, G. [“Sapienza” Università di Roma, P.le A. Moro 5, Dipartimento di Matematica (Italy); Finco, D. [Università Telematica Internazionale Uninettuno, Corso V. Emanuele II 39, Facoltà di Ingegneria (Italy); Michelangeli, A. [Scuola Internazionale Superiore di Studi Avanzati, Via Bonomea 265 (Italy); Teta, A. [“Sapienza” Università di Roma, P.le A. Moro 5, Dipartimento di Matematica (Italy)

2015-12-15

We consider a quantum mechanical three-particle system made of two identical fermions of mass one and a different particle of mass m, where each fermion interacts via a zero-range force with the different particle. In particular we study the unitary regime, i.e., the case of infinite two-body scattering length. The Hamiltonians describing the system are, by definition, self-adjoint extensions of the free Hamiltonian restricted on smooth functions vanishing at the two-body coincidence planes, i.e., where the positions of two interacting particles coincide. It is known that for m larger than a critical value m{sup ∗} ≃ (13.607){sup −1} a self-adjoint and lower bounded Hamiltonian H{sub 0} can be constructed, whose domain is characterized in terms of the standard point-interaction boundary condition at each coincidence plane. Here we prove that for m ∈ (m{sup ∗},m{sup ∗∗}), where m{sup ∗∗} ≃ (8.62){sup −1}, there is a further family of self-adjoint and lower bounded Hamiltonians H{sub 0,β}, β ∈ ℝ, describing the system. Using a quadratic form method, we give a rigorous construction of such Hamiltonians and we show that the elements of their domains satisfy a further boundary condition, characterizing the singular behavior when the positions of all the three particles coincide.

A Class of Hamiltonians for a Three-Particle Fermionic System at Unitarity

International Nuclear Information System (INIS)

Correggi, M.; Dell’Antonio, G.; Finco, D.; Michelangeli, A.; Teta, A.

2015-01-01

We consider a quantum mechanical three-particle system made of two identical fermions of mass one and a different particle of mass m, where each fermion interacts via a zero-range force with the different particle. In particular we study the unitary regime, i.e., the case of infinite two-body scattering length. The Hamiltonians describing the system are, by definition, self-adjoint extensions of the free Hamiltonian restricted on smooth functions vanishing at the two-body coincidence planes, i.e., where the positions of two interacting particles coincide. It is known that for m larger than a critical value m ∗ ≃ (13.607) −1 a self-adjoint and lower bounded Hamiltonian H 0 can be constructed, whose domain is characterized in terms of the standard point-interaction boundary condition at each coincidence plane. Here we prove that for m ∈ (m ∗ ,m ∗∗ ), where m ∗∗ ≃ (8.62) −1 , there is a further family of self-adjoint and lower bounded Hamiltonians H 0,β , β ∈ ℝ, describing the system. Using a quadratic form method, we give a rigorous construction of such Hamiltonians and we show that the elements of their domains satisfy a further boundary condition, characterizing the singular behavior when the positions of all the three particles coincide

A Class of Quasi-exact Solutions of Rabi Hamiltonian

International Nuclear Information System (INIS)

Pan Feng; Yao Youkun; Xie Mingxia; Han Wenjuan; Draayer, J.P.

2007-01-01

A class of quasi-exact solutions of the Rabi Hamiltonian, which describes a two-level atom interacting with a single-mode radiation field via a dipole interaction without the rotating-wave approximation, are obtained by using a wavefunction ansatz. Exact solutions for part of the spectrum are obtained when the atom-field coupling strength and the field frequency satisfy certain relations. As an example, the lowest exact energy level and the corresponding atom-field entanglement at the quasi-exactly solvable point are calculated and compared to results from the Jaynes-Cummings and counter-rotating cases of the Rabi Hamiltonian.

Useful forms of the Hamiltonian for ion-optical systems

International Nuclear Information System (INIS)

Davies, W.G.

1991-04-01

The symbiosis of differential algebra and the Lie-algebraic formulation of optics provides a set of very powerful tools for analyzing and understanding the orbit dynamics of complex accelerators up to very high orders. In order to use these tools effectively it is usually necessary to express the Hamiltonian in the appropriate coordinate system. In this report, the relativistic Hamiltonian is derived in curvilinear (the fundamental coordinate system for ion-optics), Cartesian and polar coordinates, in forms suitable for solving problems in ion optics and accelerator physics both with and without the help of differential algebra

Theoretical interpretation of the nuclear magnetic properties of solid 3He in the context of a four-spin exchange model

International Nuclear Information System (INIS)

Roger, Michel.

1980-06-01

The model presented in this thesis, with only two adjustable parameters, is alone able to account quantitatively for all the results described in chapter I and interpreted in chapter II. The development of this model was based originally on two essential ideas: - the simple model given in introduction suggests that in a hard-sphere quantum solid, three- and four-particle exchanges may be as important and even more favourable than two-atom exchanges. - By accounting for four-spin exchange terms in the Hamiltonian of the system, fourth power terms of the order parameter (polarisation) liable to give first-order transitions are introduced into the equation of free energy in a molecular field. On the basis of these two ideas the thesis is arranged in two parts: 1) Part one (ch. III to VIII) analyses the consequences, from the viewpoint of magnetic and thermodynamic properties, of a phenomenological Hamiltonian including four-spin exchanges. 2) The aim of part two is to estimate from microscopic equations the hierarchy amongst 2, 3 and 4-particle exchanges. A new approach, due to J.M. Delrieu, is proposed for a realistic wave function approximation accounting for the geometric correlations between hard cores. Reasons are given to justify the existence of a strong four-particle exchange in body-centred cubic 3 He. In a compact hexagonal lattice on the other hand the three-particle exchange is shown to be predominant. However three-particle exchanges promote ferromagnetism, so an ordered ferromagnetic phase is foreseen for compact hexagonal 3 He. A crucial test for our model would be to measure the sign of the Curie-Weiss constant in c.h. 3 He [fr

Terminological confusions and problems at the interface between the crystal field Hamiltonians and the zero-field splitting Hamiltonians—Survey of the CF=ZFS confusion in recent literature

Energy Technology Data Exchange (ETDEWEB)

Rudowicz, Czesław, E-mail: crudowicz@zut.edu.pl [Institute of Physics, West Pomeranian University of Technology, Al. Piastów 17, 70-310 Szczecin (Poland); Karbowiak, Mirosław [Faculty of Chemistry, University of Wrocław, ul. F. Joliot-Curie 14, 50-383 Wrocław (Poland)

2014-10-15

The single transition ions in various crystals or molecules as well as the exchange coupled systems (ECS) of transition ions, especially the single molecule magnets (SMM) or molecular nanomagnets (MNM), have been extensively studied in recent decades using electron magnetic resonance (EMR), optical spectroscopy, and magnetic measurements. Interpretation of magnetic and spectroscopic properties of transition ions is based on two physically distinct types of Hamiltonians: the physical crystal field (CF), or equivalently ligand field (LF), Hamiltonians and the effective spin Hamiltonians (SH), which include the zero-field splitting (ZFS) Hamiltonians. Survey of recent literature has revealed a number of terminological confusions and specific problems occurring at the interface between these Hamiltonians (denoted CF (LF)↔SH (ZFS)). Elucidation of sloppy or incorrect usage of crucial notions, especially those describing or parameterizing crystal fields and zero field splittings, is a very challenging task that requires several reviews. Here we focus on the prevailing confusion between the CF (LF) and SH (ZFS) quantities, denoted as the CF=ZFS confusion, which consists in referring to the parameters (or Hamiltonians), which are the true ZFS (or SH) quantities, as purportedly the CF (LF) quantities. The inverse ZFS=CF confusion, which pertains to the cases of labeling the true CF (LF) quantities as purportedly the ZFS quantities, is considered in a follow-up paper. The two reviews prepare grounds for a systematization of nomenclature aimed at bringing order to the zoo of different Hamiltonians. Specific cases of the CF=ZFS confusion identified in the recent textbooks, review articles, and SMM (MNM)- and EMR-related papers are surveyed and the pertinent misconceptions are outlined. The consequences of the terminological confusions go far beyond simple semantic issues or misleading keyword classifications of papers in journals and scientific databases. Serious

Effects of the Pathogenic Mutation A117V and the Protective Mutation H111S on the Folding and Aggregation of PrP106-126: Insights from Replica Exchange Molecular Dynamics Simulations.

Directory of Open Access Journals (Sweden)

Lulu Ning

Full Text Available The fragment 106-126 of prion protein exhibits similar properties to full-length prion. Experiments have shown that the A117V mutation enhances the aggregation of PrP106-126, while the H111S mutation abolishes the assembly. However, the mechanism of the change in the aggregation behavior of PrP106-126 upon the two mutations is not fully understood. In this study, replica exchange molecular dynamics simulations were performed to investigate the conformational ensemble of the WT PrP106-126 and its two mutants A117V and H111S. The obtained results indicate that the three species are all intrinsically disordered but they have distinct morphological differences. The A117V mutant has a higher propensity to form β-hairpin structures than the WT, while the H111S mutant has a higher population of helical structures. Furthermore, the A117V mutation increases the hydrophobic solvent accessible surface areas of PrP106-126 and the H111S mutation reduces the exposure of hydrophobic residues. It can be concluded that the difference in populations of β-hairpin structures and the change of hydrophobic solvent accessible areas may induce the different aggregation behaviors of the A117V and the H111S mutated PrP106-126. Understanding why the two mutations have contrary effects on the aggregation of PrP106-126 is very meaningful for further elucidation of the mechanism underlying aggregation and design of inhibitor against aggregation process.

Conventional hamiltonian for first-order differential systems

International Nuclear Information System (INIS)

Farias, J.R.

1984-01-01

Lagrangian systems corresponding to a given set of 2n first-order ordinary differential equations are singular ones. In despite this, it is shown that these systems can be put into a Hamiltonian form in the usual manner. (Author) [pt

Ab initio Hamiltonian approach to light nuclei and quantum field theory

International Nuclear Information System (INIS)

Vary, James P.

2009-01-01

A basis-function approach that has proven successful for solving the nonrelativistic strongly interacting nuclear many-body problem and appears promising for solving relativistic field theory in a light-front Hamiltonian framework is presented. Both conventional nuclear manybody theory and light-front field theory face common issues within the Hamiltonian approach - i.e. how to; (1) define the Hamiltonian; (2) renormalize to a finite space; (3) solve for non-perturbative observables, preserving as many symmetries as possible; and (4) take the continuum limit. Each of these challenges requires a substantial undertaking but appears solvable. Advances in computational physics, both algorithms and parallel computers, have proven essential to the recent progress. I will present results that illustrate the recent advances and indicate the path forward to ever more realistic applications

NATO Advanced Study Institute on Hamiltonian Dynamical Systems and Applications

CERN Document Server

2008-01-01

Physical laws are for the most part expressed in terms of differential equations, and natural classes of these are in the form of conservation laws or of problems of the calculus of variations for an action functional. These problems can generally be posed as Hamiltonian systems, whether dynamical systems on finite dimensional phase space as in classical mechanics, or partial differential equations (PDE) which are naturally of infinitely many degrees of freedom. This volume is the collected and extended notes from the lectures on Hamiltonian dynamical systems and their applications that were given at the NATO Advanced Study Institute in Montreal in 2007. Many aspects of the modern theory of the subject were covered at this event, including low dimensional problems as well as the theory of Hamiltonian systems in infinite dimensional phase space; these are described in depth in this volume. Applications are also presented to several important areas of research, including problems in classical mechanics, continu...

Hamiltonian Anomalies from Extended Field Theories

Science.gov (United States)

Monnier, Samuel

2015-09-01

We develop a proposal by Freed to see anomalous field theories as relative field theories, namely field theories taking value in a field theory in one dimension higher, the anomaly field theory. We show that when the anomaly field theory is extended down to codimension 2, familiar facts about Hamiltonian anomalies can be naturally recovered, such as the fact that the anomalous symmetry group admits only a projective representation on the Hilbert space, or that the latter is really an abelian bundle gerbe over the moduli space. We include in the discussion the case of non-invertible anomaly field theories, which is relevant to six-dimensional (2, 0) superconformal theories. In this case, we show that the Hamiltonian anomaly is characterized by a degree 2 non-abelian group cohomology class, associated to the non-abelian gerbe playing the role of the state space of the anomalous theory. We construct Dai-Freed theories, governing the anomalies of chiral fermionic theories, and Wess-Zumino theories, governing the anomalies of Wess-Zumino terms and self-dual field theories, as extended field theories down to codimension 2.

Effective Hamiltonians for phosphorene and silicene

International Nuclear Information System (INIS)

Lew Yan Voon, L C; Lopez-Bezanilla, A; Wang, J; Zhang, Y; Willatzen, M

2015-01-01

We derived the effective Hamiltonians for silicene and phosphorene with strain, electric field and magnetic field using the method of invariants. Our paper extends the work of Geissler et al 2013 (New J. Phys. 15 085030) on silicene, and Li and Appelbaum 2014 (Phys. Rev. B 90, 115439) on phosphorene. Our Hamiltonians are compared to an equivalent one for graphene. For silicene, the expression for band warping is obtained analytically and found to be of different order than for graphene. We prove that a uniaxial strain does not open a gap, resolving contradictory numerical results in the literature. For phosphorene, it is shown that the bands near the Brillouin zone center only have terms in even powers of the wave vector. We predict that the energies change quadratically in the presence of a perpendicular external electric field but linearly in a perpendicular magnetic field, as opposed to those for silicene which vary linearly in both cases. Preliminary ab initio calculations for the intrinsic band structures have been carried out in order to evaluate some of the k⋅p parameters. (paper)

Quantum recurrence and fractional dynamic localization in ac-driven perfect state transfer Hamiltonians

International Nuclear Information System (INIS)

Longhi, Stefano

2014-01-01

Quantum recurrence and dynamic localization are investigated in a class of ac-driven tight-binding Hamiltonians, the Krawtchouk quantum chain, which in the undriven case provides a paradigmatic Hamiltonian model that realizes perfect quantum state transfer and mirror inversion. The equivalence between the ac-driven single-particle Krawtchouk Hamiltonian H -hat (t) and the non-interacting ac-driven bosonic junction Hamiltonian enables to determine in a closed form the quasi energy spectrum of H -hat (t) and the conditions for exact wave packet reconstruction (dynamic localization). In particular, we show that quantum recurrence, which is predicted by the general quantum recurrence theorem, is exact for the Krawtchouk quantum chain in a dense range of the driving amplitude. Exact quantum recurrence provides perfect wave packet reconstruction at a frequency which is fractional than the driving frequency, a phenomenon that can be referred to as fractional dynamic localization

Long-time atomistic simulations with the Parallel Replica Dynamics method

Science.gov (United States)

Perez, Danny

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

Gamma-ray spectra and doses from the Little Boy replica

International Nuclear Information System (INIS)

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

1984-01-01

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

Superradiance, disorder, and the non-Hermitian Hamiltonian in open quantum systems

Energy Technology Data Exchange (ETDEWEB)

Celardo, G. L.; Biella, A.; Giusteri, G. G.; Mattiotti, F. [Dipartimento di Matematica e Fisica and Interdisciplinary Laboratories for Advanced Materials Physics, Università Cattolica, via Musei 41, 25121 Brescia (Italy); Zhang, Y.; Kaplan, L. [Department of Physics and Engineering Physics, Tulane University, New Orleans, Louisiana 70118 (United States)

2014-10-15

We first briefly review the non-Hermitian effective Hamiltonian approach to open quantum systems and the associated phenomenon of superradiance. We next discuss the superradiance crossover in the presence of disorder and the relationship between superradiance and the localization transition. Finally, we investigate the regime of validity of the energy-independent effective Hamiltonian approximation and show that the results obtained by these methods are applicable to realistic physical systems.

Optimal control methods for rapidly time-varying Hamiltonians

International Nuclear Information System (INIS)

Motzoi, F.; Merkel, S. T.; Wilhelm, F. K.; Gambetta, J. M.

2011-01-01

In this article, we develop a numerical method to find optimal control pulses that accounts for the separation of timescales between the variation of the input control fields and the applied Hamiltonian. In traditional numerical optimization methods, these timescales are treated as being the same. While this approximation has had much success, in applications where the input controls are filtered substantially or mixed with a fast carrier, the resulting optimized pulses have little relation to the applied physical fields. Our technique remains numerically efficient in that the dimension of our search space is only dependent on the variation of the input control fields, while our simulation of the quantum evolution is accurate on the timescale of the fast variation in the applied Hamiltonian.

Additional integrals of the motion of classical Hamiltonian wave systems

International Nuclear Information System (INIS)

Shul'man, E.I.

1989-01-01

It is shown that a classical Hamiltonian wave system that possesses at least one additional integral of the motion with quadratic principal part has an infinite number of such integrals in the cases of both nondegenerate and degenerate dispersion laws. Conditions under which in a space of dimension d ≥ 2 a system with nondegenerate dispersion law is completely integratable and its Hamiltonian can be reduced to normal form are found. In the case of a degenerate dispersion law integrals are not sufficient for complete integrability

Reaction Hamiltonian and state-to-state description of chemical reactions

International Nuclear Information System (INIS)

Ruf, B.A.; Kresin, V.Z.; Lester, W.A. Jr.

1985-08-01

A chemical reaction is treated as a quantum transition from reactants to products. A specific reaction Hamiltonian (in second quantization formalism) is introduced. The approach leads to Franck-Condon-like factor, and adiabatic method in the framework of the nuclear motion problems. The influence of reagent vibrational state on the product energy distribution has been studied following the reaction Hamiltonian method. Two different cases (fixed available energy and fixed translational energy) are distinguished. Results for several biomolecular reactions are presented. 40 refs., 5 figs

Coherent states of systems with quadratic Hamiltonians

Energy Technology Data Exchange (ETDEWEB)

Bagrov, V.G., E-mail: bagrov@phys.tsu.ru [Department of Physics, Tomsk State University, Tomsk (Russian Federation); Gitman, D.M., E-mail: gitman@if.usp.br [Tomsk State University, Tomsk (Russian Federation); Pereira, A.S., E-mail: albertoufcg@hotmail.com [Universidade de Sao Paulo (USP), Sao Paulo, SP (Brazil). Instituto de Fisica

2015-06-15

Different families of generalized coherent states (CS) for one-dimensional systems with general time-dependent quadratic Hamiltonian are constructed. In principle, all known CS of systems with quadratic Hamiltonian are members of these families. Some of the constructed generalized CS are close enough to the well-known due to Schroedinger and Glauber CS of a harmonic oscillator; we call them simply CS. However, even among these CS, there exist different families of complete sets of CS. These families differ by values of standard deviations at the initial time instant. According to the values of these initial standard deviations, one can identify some of the families with semiclassical CS. We discuss properties of the constructed CS, in particular, completeness relations, minimization of uncertainty relations and so on. As a unknown application of the general construction, we consider different CS of an oscillator with a time dependent frequency. (author)

Coherent states of systems with quadratic Hamiltonians

International Nuclear Information System (INIS)

Bagrov, V.G.; Gitman, D.M.; Pereira, A.S.

2015-01-01

Different families of generalized coherent states (CS) for one-dimensional systems with general time-dependent quadratic Hamiltonian are constructed. In principle, all known CS of systems with quadratic Hamiltonian are members of these families. Some of the constructed generalized CS are close enough to the well-known due to Schroedinger and Glauber CS of a harmonic oscillator; we call them simply CS. However, even among these CS, there exist different families of complete sets of CS. These families differ by values of standard deviations at the initial time instant. According to the values of these initial standard deviations, one can identify some of the families with semiclassical CS. We discuss properties of the constructed CS, in particular, completeness relations, minimization of uncertainty relations and so on. As a unknown application of the general construction, we consider different CS of an oscillator with a time dependent frequency. (author)

Quantization of non-Hamiltonian physical systems

International Nuclear Information System (INIS)

Bolivar, A.O.

1998-09-01

We propose a general method of quantization of non-Hamiltonian physical systems. Applying it, for example, to a dissipative system coupled to a thermal reservoir described by the Fokker-Planck equation, we are able to obtain the Caldeira-Leggett master equation, the non-linear Schroedinger-Langevin equation and Caldirola-Kanai equation (with an additional term), as particular cases. (author)

Edge-disjoint Hamiltonian cycles in hypertournaments

DEFF Research Database (Denmark)

Thomassen, Carsten

2006-01-01

We introduce a method for reducing k-tournament problems, for k >= 3, to ordinary tournaments, that is, 2-tournaments. It is applied to show that a k-tournament on n >= k + 1 + 24d vertices (when k >= 4) or on n >= 30d + 2 vertices (when k = 3) has d edge-disjoint Hamiltonian cycles if and only...

A procedure to analyze surface profiles of the protein molecules visualized by quick-freeze deep-etch replica electron microscopy

Energy Technology Data Exchange (ETDEWEB)

Kimori, Yoshitaka [Division of Biomolecular Imaging, Institute of Medical Science, The University of Tokyo, Minato-ku, Tokyo 108-8639 (Japan); Department of Bioscience and Bioinformatics, Kyushu Institute of Technology, Iizuka, Fukuoka 820-8502 (Japan); Oguchi, Yosuke [Department of Electric Engineering, Kogakuin University, Hachioji, Tokyo 192-0015 (Japan); Ichise, Norihiko [Department of Visual Communication, Komazawa Women' s University, Inagi, Tokyo 206-8511 (Japan); Baba, Norio [Department of Electric Engineering, Kogakuin University, Hachioji, Tokyo 192-0015 (Japan); Katayama, Eisaku [Division of Biomolecular Imaging, Institute of Medical Science, The University of Tokyo, Minato-ku, Tokyo 108-8639 (Japan)]. E-mail: ekatayam@ims.u-tokyo.ac.jp

2007-01-15

Quick-freeze deep-etch replica electron microscopy gives high contrast snapshots of individual protein molecules under physiological conditions in vitro or in situ. The images show delicate internal pattern, possibly reflecting the rotary-shadowed surface profile of the molecule. As a step to build the new system for the 'Structural analysis of single molecules', we propose a procedure to quantitatively characterize the structural property of individual molecules; e.g. conformational type and precise view-angle of the molecules, if the crystallographic structure of the target molecule is available. This paper presents a framework to determine the observed face of the protein molecule by analyzing the surface profile of individual molecules visualized in freeze-replica specimens. A comprehensive set of rotary-shadowed views of the protein molecule was artificially generated from the available atomic coordinates using light-rendering software. Exploiting new mathematical morphology-based image filter, characteristic features were extracted from each image and stored as template. Similar features were extracted from the true replica image and the most likely projection angle and the conformation of the observed particle were determined by quantitative comparison with a set of archived images. The performance and the robustness of the procedure were examined with myosin head structure in defined configuration for actual application.

A procedure to analyze surface profiles of the protein molecules visualized by quick-freeze deep-etch replica electron microscopy

International Nuclear Information System (INIS)

Kimori, Yoshitaka; Oguchi, Yosuke; Ichise, Norihiko; Baba, Norio; Katayama, Eisaku

2007-01-01

Quick-freeze deep-etch replica electron microscopy gives high contrast snapshots of individual protein molecules under physiological conditions in vitro or in situ. The images show delicate internal pattern, possibly reflecting the rotary-shadowed surface profile of the molecule. As a step to build the new system for the 'Structural analysis of single molecules', we propose a procedure to quantitatively characterize the structural property of individual molecules; e.g. conformational type and precise view-angle of the molecules, if the crystallographic structure of the target molecule is available. This paper presents a framework to determine the observed face of the protein molecule by analyzing the surface profile of individual molecules visualized in freeze-replica specimens. A comprehensive set of rotary-shadowed views of the protein molecule was artificially generated from the available atomic coordinates using light-rendering software. Exploiting new mathematical morphology-based image filter, characteristic features were extracted from each image and stored as template. Similar features were extracted from the true replica image and the most likely projection angle and the conformation of the observed particle were determined by quantitative comparison with a set of archived images. The performance and the robustness of the procedure were examined with myosin head structure in defined configuration for actual application