Search results for " Computer simulation"
showing 10 items of 31 documents
Transport of Mobile Particles in an Immobile Environment: Computer Simulations of Sodium Silicates
2007
Molecular dynamics (MD) simulations of various sodium silicate melts, (Na2O)x(SiO2) with x=2, 3, 20, are presented. In these systems, the mobility of sodium ions is much higher, often by orders of magnitude, than that of the silicon and oxygen atoms forming a tetrahedral network structure. We show that the high mobility of sodium is intimately related to the chemical ordering in sodium silicates. A network of percolating sodium-rich channels is formed in the static structure that serve as diffusion channels for the sodium ions. This channel network is revealed in static structure factors by a prepeak at the wavenumber q=0.95 A-1. Inelastic neutron scattering experiments of sodium silicate m…
An adaptive multimeme algorithm for designing HIV multidrug therapies.
2007
This paper proposes a period representation for modeling the multidrug HIV therapies and an Adaptive Multimeme Algorithm (AMmA) for designing the optimal therapy. The period representation offers benefits in terms of flexibility and reduction in dimensionality compared to the binary representation. The AMmA is a memetic algorithm which employs a list of three local searchers adaptively activated by an evolutionary framework. These local searchers, having different features according to the exploration logic and the pivot rule, have the role of exploring the decision space from different and complementary perspectives and, thus, assisting the standard evolutionary operators in the optimizati…
A computational study of point defects and diffusion in enstatite
2009
In order to contribute to the understanding of diffusion processes in enstatite (Mg2Si2O6), we have used atomistic simulation techniques to study point defects in this mineral. We present results for a variety of Scottky and Frenkel defects of all atomic species present in it. We have furthermore calculated the activation energy for magnesium diffusion. We break diffusion down into a succession of hops between neighboring sites. Each hop is associated with a migration energy barrier. By making a series of hops, the diffusing ion may cross the unit cell. The maximum migration energy necessary to attain movement in a direction is the activation energy for diffusion in that direction. The defe…
Computational study of defects in ideal phengite
2009
Phengite is the name of a series designating the “potassic dioctahedral micas between, or close to, the joins muscovite-aluminoceladonite and muscovite-celadonite” (Rieder et al. 1998). These micas play a important role in most petrogenetic reactions occurring in high-pressure (HP) metamorphic environments; they are useful geothermobarometers and participate in reactions as H2O carriers in the subduction zone. In this work we have employed atomistic simulations techniques to model defects, evaluate the most stable defect species and determine the most likely diffusion mechanism in crystals. We have calculated the defect formation energies for vacancies, impurities and interstitials, Frenkel…
Safety Concerns on Ground Fault Application Transfer Phenomenon in HV Installations
2007
When a fault to ground occurs in HV/MV substations supplied by a combined overhead-cable line, most of the fault current can be transferred and injected into the soil several kilometers far away from the fault location. This phenomenon is called "fault application transfer" and mostly concerns transition stations, where cables are connected to the overhead line. If the transition station is a dead-end steel pole structure, usually accessible to the general public, the local ground electrode could be inadequate to maintain ground potential rise within safety limits. Hence, dangerous touch and step voltages may appear at exposed locations. In the paper results of various computer simulations …
Constant Heat Input Friction Stir Welding of Variable Thickness AZ31 Sheets Through In-Process Tool Rotation Control
2019
Tailored blanks characterized by variable thickness were friction stir welded (FSWed) with the aim to obtain constant joint properties along the weld seam, regardless of the thickness change. To pursue this goal, the heat input was kept constant by in-process control of tool rotation. A dedicated numerical model of the process was used to determine the tool rotation values as a function of the sheet thickness. The mechanical properties and the microstructure of the FSWed joints, produced with varying process parameters, were studied. It was found that the proposed approach can produce joints with uniform properties along the weld line in terms of stress–strain curve shape, joint strength, e…
Nonlinear parametric quantile models
2020
Quantile regression is widely used to estimate conditional quantiles of an outcome variable of interest given covariates. This method can estimate one quantile at a time without imposing any constraints on the quantile process other than the linear combination of covariates and parameters specified by the regression model. While this is a flexible modeling tool, it generally yields erratic estimates of conditional quantiles and regression coefficients. Recently, parametric models for the regression coefficients have been proposed that can help balance bias and sampling variability. So far, however, only models that are linear in the parameters and covariates have been explored. This paper …
Effective target arrangement in a deterministic scale-free graph
2010
We study the random walk problem on a deterministic scale-free network, in the presence of a set of static, identical targets; due to the strong inhomogeneity of the underlying structure the mean first-passage time (MFPT), meant as a measure of transport efficiency, is expected to depend sensitively on the position of targets. We consider several spatial arrangements for targets and we calculate, mainly rigorously, the related MFPT, where the average is taken over all possible starting points and over all possible paths. For all the cases studied, the MFPT asymptotically scales like N^{theta}, being N the volume of the substrate and theta ranging from (1 - log 2/log3), for central target(s)…
Guidelines for the use and interpretation of assays for monitoring autophagy (3rd edition)
2016
Seuls les 100 premiers auteurs dont les auteurs INRA ont été entrés dans la notice. La liste complète des auteurs et de leurs affiliations est accessible sur la publication.; International audience; In 2008 we published the first set of guidelines for standardizing research in autophagy. Since then, research on this topic has continued to accelerate, and many new scientists have entered the field. Our knowledge base and relevant new technologies have also been expanding. Accordingly, it is important to update these guidelines for monitoring autophagy in different organisms. Various reviews have described the range of assays that have been used for this purpose. Nevertheless, there continues…
Sobre substitució lingüística i autòmats cel.lulars (SLAC): decurs de la investigació
2010
Hem optat per focalitzar la nostra investigació, tot i l'ampla aplicabilitat de la recerca, en la detecció del futur de la nostra llengua a partir dels pressupòsits de la Psicologia Social Computacional. I això mitjançant la utilització de la simulació informàtica, basada en els autòmats cel·lulars, que ha donat els primers resultats que presentem i explicitem en la nostra aportació a l'ANUARI. Així, hi abordem el futur de la llengua pròpia a partir de la conducta referida als parlants del País Valencià i amb la intenció d'esbrinar la reversió de la substitució lingüística.