Parallel Excluded Volume Tempering for Polymer Melts

We have developed a technique to accelerate the acquisition of effectively uncorrelated configurations for off-lattice models of dense polymer melts which makes use of both parallel tempering and large scale Monte Carlo moves. The method is based upon simulating a set of systems in parallel, each of which has a slightly different repulsive core potential, such that a thermodynamic path from full excluded volume to an ideal gas of random walks is generated. While each system is run with standard stochastic dynamics, resulting in an NVT ensemble, we implement the parallel tempering through stochastic swaps between the configurations of adjacent potentials, and the large scale Monte Carlo moves through attempted pivot and translation moves which reach a realistic acceptance probability as the limit of the ideal gas of random walks is approached. Compared to pure stochastic dynamics, this results in an increased efficiency even for a system of chains as short as $N = 60$ monomers, however at this chain length the large scale Monte Carlo moves were ineffective. For even longer chains the speedup becomes substantial, as observed from preliminary data for $N = 200$

Self-similarity and long-time behavior of solutions of the diffusion equation with nonlinear absorption and a boundary source

This paper deals with the long-time behavior of solutions of nonlinear reaction-diffusion equations describing formation of morphogen gradients, the concentration fields of molecules acting as spatial regulators of cell differentiation in developing tissues. For the considered class of models, we establish existence of a new type of ultra-singular self-similar solutions. These solutions arise as limits of the solutions of the initial value problem with zero initial data and infinitely strong source at the boundary. We prove existence and uniqueness of such solutions in the suitable weighted energy spaces. Moreover, we prove that the obtained self-similar solutions are the long-time limits of the solutions of the initial value problem with zero initial data and a time-independent boundary source

Efecto del contenido de aluminato de estroncio y hemihidrato sobre las propiedades de un cemento de sulfoaluminato de calcio

The effect of strontium aluminate (SrAl2O4) on the hydration process of a calcium sulphoaluminate (C4A3Ŝ) cement was investigated. Cement pastes were prepared by mixing C4A3Ŝ , hemihydrate (CaSO4· ½H2O, CŜH0.5) and 0, 10 or 20wt% of SrAl2O4 (SrA). The amount of CŜH0.5 was 15, 20 or 25wt% based on the C4A3Ŝ quantity. The cement pastes were hydrated using water to cement ratios (w/c) of 0.4 and 0.5. Samples were cured from 1 to 28 d. The compressive strength and setting time were evaluated and the hydration products were characterized. It was found that the setting time was delayed up to 42 min for the samples containing SrAl2O4 compared to samples without addition. The samples with 25wt% hemihydrate containing 20wt% SrAl2O4 developed the highest compressive strength (60 MPa) after 28 d of curing. The main product after hydration was ettringite (C6AŜ3H32). The morphology of this phase consisted of thin needle-shaped crystals.Se investigó el efecto de la adición de aluminato de estroncio (SrAl2O4) sobre las propiedades de un cemento de sulfoaluminato de calcio (C4A3Ŝ). Se prepararon muestras mezclando C4A3Ŝ, hemihidrato (CaSO4· ½H2O, CŜH0.5) y 0, 10 o 20% e.p de SrAl2O4 (SrA). La cantidad de CŜH0.5 fue de 15, 20 o 25% e.p. basado en la cantidad de C4A3Ŝ. Las relaciones agua/cemento utilizadas fueron 0.4 y 0.5. Las muestras fueron curadas hasta 28 d. Se evaluó el tiempo de fraguado y la resistencia a la compresión. Los productos de hidratación se caracterizaron mediante DRX y MEB. El tiempo de fraguado se retardó hasta 42 minutos con la adición del SrAl2O4 comparado con las muestras sin adiciones. Las muestras con 25% e.p. de yeso y 20% e.p. de SrAl2O4 desarrollaron la mayor resistencia a la compresión alcanzando 60 MPa a 28 d de curado. Los análisis por MEB y DRX muestran como principal producto de hidratación a la etringita (C6AŜ3H32), cuya morfología se observa como cristales aciculares

Efecto de la adición de ácido cítrico y la cantidad de yeso sobre las propiedades del cemento de sulfoaluminato de calcio

The influence of citric acid on the hydration and strength development of a calcium sulphoaluminate cement was investigated. Cement pastes were prepared by mixing calcium sulphoaluminate (C4A3Ŝ) with 15, 20 and 25wt% of hemihydrate (CŜH0.5). Citric acid was added as a retarder at 0 and 0.5wt%. The samples were cured at 20 °C for periods of time from 1 to 28 days to evaluate their compressive strength and to characterize the hydration products by scanning electron microscopy and X-ray diffraction. Calorimetric curves showed that the retarding agent considerably decreases the heat release rate and the quantity of total heat released. The main product after the curing was ettringite (C6AŜ3H32). The morphology of this phase consisted of long and thin needles growing radially on the cement grains. Samples with 15wt% of hemihydrate and 0.5wt% of citric acid developed the highest compressive strength (70 MPa) at 28 days of curing.Se investigó el efecto del ácido cítrico sobre la hidratación y propiedades mecánicas de un cemento de sulfoaluminato de calcio. El C4A3Ŝ se mezcló con 15, 20 y 25% e.p. de hemihidrato (CŜH0.5). Se agregó ácido cítrico como retardante en 0 y 0.5% e.p. Las muestras fueron curadas a 20 °C por periodos de 1 a 28 días para realizar mediciones de resistencia a la compresión y caracterizar los productos de hidratación mediante microscopía electrónica de barrido y difracción de rayos X. Las curvas de calorimetría mostraron ue el ácido cítrico disminuye la velocidad de liberación de calor y la cantidad de calor liberado durante la hidratación. La resistencia a la compresión alcanzó un máximo de 70 MPa en muestras con 15% e.p. de hemihidrato y 0,5% e.p de ácido cítrico. Los resultados muestran a la etringita (C6AŜ3H32) como principal producto de hidratación. Se observa a esta fase con morfología acicular creciendo sobre las partículas de cemento

Forward Flux Sampling for rare event simulations

Rare events are ubiquitous in many different fields, yet they are notoriously difficult to simulate because few, if any, events are observed in a conventiona l simulation run. Over the past several decades, specialised simulation methods have been developed to overcome this problem. We review one recently-developed class of such methods, known as Forward Flux Sampling. Forward Flux Sampling uses a series of interfaces between the initial and final states to calculate rate constants and generate transition paths, for rare events in equilibrium or nonequilibrium systems with stochastic dynamics. This review draws together a number of recent advances, summarizes several applications of the method and highlights challenges that remain to be overcome.Comment: minor typos in the manuscript. J.Phys.:Condensed Matter (accepted for publication

Stability Analysis for Autonomous Dynamical Switched Systems through Nonconventional Lyapunov Functions

The stability of autonomous dynamical switched systems is analyzed by means of multiple Lyapunov functions. The stability theorems given in this paper have finite number of conditions to check. It is shown that linear functions can be used as Lyapunov functions. An example of an exponentially asymptotically stable switched system formed by four unstable systems is also given

Holographic 3-point function at one loop

We explore the recent weak/strong coupling match of three-point functions in the AdS/CFT correspondence for two semi-classical operators and one light chiral primary operator found by Escobedo et al. This match is between the tree-level three-point function with the two semi-classical operators described by coherent states while on the string side the three-point function is found in the Frolov-Tseytlin limit. We compute the one-loop correction to the three-point function on the gauge theory side and compare this to the corresponding correction on the string theory side. We find that the corrections do not match. Finally, we discuss the possibility of further contributions on the gauge theory side that can alter our results.Comment: 24 pages, 2 figures. v2: Typos fixed, Ref. added, figure improved. v3: Several typos and misprints fixed, Ref. updated, figures improved, new section 2.3 added on correction from spin-flipped coherent state, computations on string theory side improve

On holographic three point functions for GKP strings from integrability

Adapting the powerful integrability-based formalism invented previously for the calculation of gluon scattering amplitudes at strong coupling, we develop a method for computing the holographic three point functions for the large spin limit of Gubser-Klebanov- Polyakov (GKP) strings. Although many of the ideas from the gluon scattering problem can be transplanted with minor modifications, the fact that the information of the external states is now encoded in the singularities at the vertex insertion points necessitates several new techniques. Notably, we develop a new generalized Riemann bilinear identity, which allows one to express the area integral in terms of appropriate contour integrals in the presence of such singularities. We also give some general discussions on how semiclassical vertex operators for heavy string states should be constructed systematically from the solutions of the Hamilton-Jacobi equation.Comment: 62 pages;v2 Typos and equation (3.7) corrected. Clarifying remarks added in Section 4.1. Published version;v3 Minor errors found in version 2 are corrected. For explanation of the revision, see Erratum published in http://www.springerlink.com/content/m67055235407vx67/?MUD=M