Effective-Hamiltonian modeling of external pressures in ferroelectric perovskites

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

Monte Carlo Simulation of the Three-dimensional Ising Spin Glass

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

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

We find a first order Coulomb--Higgs phase transition at moderately large values of the coupling $\lambda$, 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

Optimal experimental design for mathematical models of haematopoiesis.

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

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

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

Equilibrium and off-equilibrium simulations of the 4d Gaussian spin glass

In this paper we study the on and off-equilibrium properties of the four dimensional Gaussian spin glass. In the static case we determine with more precision that in previous simulations both the critical temperature as well as the critical exponents. In the off-equilibrium case we settle the general form of the autocorrelation function, and show that is possible to obtain dynamically, for the first time, a value for the order parameter.Comment: 16 pages and 13 figures, uses epsfig.sty and rotate.sty. Some minor grammatical changes. Also available at http://chimera.roma1.infn.it/index_papers_complex.htm

The three dimensional Ising spin glass in an external magnetic field: the role of the silent majority

We perform equilibrium parallel-tempering simulations of the 3D Ising Edwards-Anderson spin glass in a field. A traditional analysis shows no signs of a phase transition. Yet, we encounter dramatic fluctuations in the behaviour of the model: Averages over all the data only describe the behaviour of a small fraction of it. Therefore we develop a new approach to study the equilibrium behaviour of the system, by classifying the measurements as a function of a conditioning variate. We propose a finite-size scaling analysis based on the probability distribution function of the conditioning variate, which may accelerate the convergence to the thermodynamic limit. In this way, we find a non-trivial spectrum of behaviours, where a part of the measurements behaves as the average, while the majority of them shows signs of scale invariance. As a result, we can estimate the temperature interval where the phase transition in a field ought to lie, if it exists. Although this would-be critical regime is unreachable with present resources, the numerical challenge is finally well posed.Comment: 42 pages, 19 figures. Minor changes and added figure (results unchanged

Universal Finite Size Scaling Functions in the 3D Ising Spin Glass

We study the three-dimensional 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. Monte Carlo data are extrapolated to infinite volume with an iterative procedure up to correlation lengths xi \approx 140. The infinite volume data are consistent with a conventional power law singularity at finite temperature Tc. Taking into account corrections to scaling, we find Tc = 1.156 +/- 0.015, nu = 1.8 +/- 0.2 and eta = -0.26 +/- 0.04. The data are also consistent with an exponential singularity at finite Tc, but not with an exponential singularity at zero temperature.Comment: 4 pages, Revtex, 4 postscript figures include

Options and strategies for the conservation of farm animal genetic resources. Report of an International Workshop. Agropolis, Montpellier, France, 7-10 November 2005

Sixty-three experts from 28 countries and eight international organizations met for four days in Montpellier, France, in November 2005 to review the options and strategies for the conservation of farm animal genetic resources (FAnGR) and to identify priorities for action. The workshop focused primarily on the technical needs and opportunities and placed less emphasis on policy and institutional issues, although findings on such issues did arise naturally from many of the conclusions drawn. The workshop resulted in 11 major findings and 13 priorities for action. The workshop also identified four broad areas where information and knowledge were lacking. The findings and priorities for action are listed here in the executive summary and each is explained in more detail in the body of this report. They are presented in the order developed by the workshop. Participants did not attempt to rank the findings and actions. (Résumé d'auteur