529 research outputs found

    Effective-Hamiltonian modeling of external pressures in ferroelectric perovskites

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    The phase-transition sequence of a ferroelectric perovskite such as BaTiO_3 can be simulated by computing the statistical mechanics of a first-principles derived effective Hamiltonian [Zhong, Vanderbilt and Rabe, Phys. Rev. Lett. 73, 1861 (1994)]. Within this method, the effect of an external pressure (in general, of any external field) can be studied by considering the appropriate "enthalpy" instead of the effective Hamiltonian itself. The legitimacy of this approach relies on two critical assumptions that, to the best of our knowledge, have not been adequately discussed in the literature to date: (i) that the zero-pressure relevant degrees of freedom are still the only relevant degrees of freedom at finite pressures, and (ii) that the truncation of the Taylor expansion of the energy considered in the effective Hamiltonian remains a good approximation at finite pressures. Here we address these issues in detail and present illustrative first-principles results for BaTiO_3. We also discuss how to construct effective Hamiltonians in cases in which these assumptions do not hold.Comment: 5 pages, with 2 postscript figures embedded. Proceedings of "Fundamental Physics of Ferroelectrics, 2002", R. Cohen and T. Egami, eds. (AIP, Melville, New York, 2002). Also available at http://www.physics.rutgers.edu/~dhv/preprints/ji_effp/index.htm

    The Coulomb-Higgs transition of the three-parameter U(1)-Higgs model

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    We find a first order Coulomb--Higgs phase transition at moderately large values of the coupling λ\lambda, and no evidence for a change of order at any finite value of it.Comment: 3 pages, uuencoded compressed ps file. Contribution to Lattice '9

    Monte Carlo Simulation of the Three-dimensional Ising Spin Glass

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    We study the 3D Edwards-Anderson model with binary interactions by Monte Carlo simulations. Direct evidence of finite-size scaling is provided, and the universal finite-size scaling functions are determined. Using an iterative extrapolation procedure, Monte Carlo data are extrapolated to infinite volume up to correlation length \xi = 140. The infinite volume data are consistent with both a continuous phase transition at finite temperature and an essential singularity at finite temperature. An essential singularity at zero temperature is excluded.Comment: 5 pages, 6 figures. Proceedings of the Workshop "Computer Simulation Studies in Condensed Matter Physics XII", Eds. D.P. Landau, S.P. Lewis, and H.B. Schuettler, (Springer Verlag, Heidelberg, Berlin, 1999

    Clonal Relatedness of Enterotoxigenic Escherichia coli (ETEC) Strains Expressing LT and CS17 Isolated from Children with Diarrhoea in La Paz, Bolivia

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    BACKGROUND: Enterotoxigenic Escherichia coli (ETEC) is a major cause of traveller's and infantile diarrhoea in the developing world. ETEC produces two toxins, a heat-stable toxin (known as ST) and a heat-labile toxin (LT) and colonization factors that help the bacteria to attach to epithelial cells. METHODOLOGY/PRINCIPAL FINDINGS: In this study, we characterized a subset of ETEC clinical isolates recovered from Bolivian children under 5 years of age using a combination of multilocus sequence typing (MLST) analysis, virulence typing, serotyping and antimicrobial resistance test patterns in order to determine the genetic background of ETEC strains circulating in Bolivia. We found that strains expressing the heat-labile (LT) enterotoxin and colonization factor CS17 were common and belonged to several MLST sequence types but mainly to sequence type-423 and sequence type-443 (Achtman scheme). To further study the LT/CS17 strains we analysed the nucleotide sequence of the CS17 operon and compared the structure to LT/CS17 ETEC isolates from Bangladesh. Sequence analysis confirmed that all sequence type-423 strains from Bolivia had a single nucleotide polymorphism; SNP(bol) in the CS17 operon that was also found in some other MLST sequence types from Bolivia but not in strains recovered from Bangladeshi children. The dominant ETEC clone in Bolivia (sequence type-423/SNP(bol)) was found to persist over multiple years and was associated with severe diarrhoea but these strains were variable with respect to antimicrobial resistance patterns. CONCLUSION/SIGNIFICANCE: The results showed that although the LT/CS17 phenotype is common among ETEC strains in Bolivia, multiple clones, as determined by unique MLST sequence types, populate this phenotype. Our data also appear to suggest that acquisition and loss of antimicrobial resistance in LT-expressing CS17 ETEC clones is more dynamic than acquisition or loss of virulence factors

    Optimal experimental design for mathematical models of haematopoiesis.

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    The haematopoietic system has a highly regulated and complex structure in which cells are organized to successfully create and maintain new blood cells. It is known that feedback regulation is crucial to tightly control this system, but the specific mechanisms by which control is exerted are not completely understood. In this work, we aim to uncover the underlying mechanisms in haematopoiesis by conducting perturbation experiments, where animal subjects are exposed to an external agent in order to observe the system response and evolution. We have developed a novel Bayesian hierarchical framework for optimal design of perturbation experiments and proper analysis of the data collected. We use a deterministic model that accounts for feedback and feedforward regulation on cell division rates and self-renewal probabilities. A significant obstacle is that the experimental data are not longitudinal, rather each data point corresponds to a different animal. We overcome this difficulty by modelling the unobserved cellular levels as latent variables. We then use principles of Bayesian experimental design to optimally distribute time points at which the haematopoietic cells are quantified. We evaluate our approach using synthetic and real experimental data and show that an optimal design can lead to better estimates of model parameters

    An analytical accumulation mode SOI pMOSFET model for high-temperature analog applications

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    An accumulation mode SOI pMOSFET model for simulation of analog circuits meant for high-temperature applications is presented in the paper. The model is based on explicit expressions for the drain current with an infinite order of continuity what assures smooth transitions between different operation regimes of the transistor. This model is valid for all regimes of normal operation, demonstrates proper description of high-temperature behavior of the subthreshold and off-state current. The model characteristics show a good agreement with the experimental data for temperatures up to 300 °C

    The mean field theory of spin glasses: the heuristic replica approach and recent rigorous results

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    The mathematically correct computation of the spin glasses free energy in the infinite range limit crowns 25 years of mathematic efforts in solving this model. The exact solution of the model was found many years ago by using a heuristic approach; the results coming from the heuristic approach were crucial in deriving the mathematical results. The mathematical tools used in the rigorous approach are quite different from those of the heuristic approach. In this note we will review the heuristic approach to spin glasses in the light of the rigorous results; we will also discuss some conjectures that may be useful to derive the solution of the model in an alternative way.Comment: 12 pages, 1 figure; lecture at the Flato Colloquia Day, Thursday 27 November, 200
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