Phase diagrams of particles with dissimilar patches: X-junctions and Y-junctions

We use Wertheim's first-order perturbation theory to investigate the phase behaviour and the structure of coexisting fluid phases for a model of patchy particles with dissimilar patches (two patches of type A and f(B) patches of type B). A patch of type alpha = {A, B} can bond to a patch of type beta = {A, B} in a volume nu(alpha beta), thereby decreasing the internal energy by epsilon(alpha beta). We analyse the range of model parameters where AB bonds, or Y-junctions, are energetically disfavoured (epsilon(AB) < epsilon(AA)/2) but entropically favoured (nu(AB) >> nu(alpha alpha)), and BB bonds, or X-junctions, are energetically favoured (epsilon(BB) > 0). We show that, for low values of epsilon(BB)/epsilon(AA), the phase diagram has three different regions: (i) close to the critical temperature a low-density liquid composed of long chains and rich in Y-junctions coexists with a vapour of chains; (ii) at intermediate temperatures there is coexistence between a vapour of short chains and a liquid of very long chains with X-and Y-junctions; (iii) at low temperatures an ideal gas coexists with a high-density liquid with all possible AA and BB bonds formed. It is also shown that in region (i) the liquid binodal is reentrant (its density decreases with decreasing temperature) for the lower values of epsilon(BB)/epsilon(AA). The existence of these three regions is a consequence of the competition between the formation of X- and Y-junctions: X-junctions are energetically favoured and thus dominate at low temperatures, whereas Y-junctions are entropically favoured and dominate at higher temperatures.

Definition of MV Load Diagrams via Weighted Evidence Accumulation Clustering using Subsampling

A definition of medium voltage (MV) load diagrams was made, based on the data base knowledge discovery process. Clustering techniques were used as support for the agents of the electric power retail markets to obtain specific knowledge of their customers’ consumption habits. Each customer class resulting from the clustering operation is represented by its load diagram. The Two-step clustering algorithm and the WEACS approach based on evidence accumulation (EAC) were applied to an electricity consumption data from a utility client’s database in order to form the customer’s classes and to find a set of representative consumption patterns. The WEACS approach is a clustering ensemble combination approach that uses subsampling and that weights differently the partitions in the co-association matrix. As a complementary step to the WEACS approach, all the final data partitions produced by the different variations of the method are combined and the Ward Link algorithm is used to obtain the final data partition. Experiment results showed that WEACS approach led to better accuracy than many other clustering approaches. In this paper the WEACS approach separates better the customer’s population than Two-step clustering algorithm.

Phase diagrams of binary mixtures of patchy colloids with distinct numbers and types of patches: Theempty fluid regime

We investigate the effect of distinct bonding energies on the onset of criticality of low functionality fluid mixtures. We focus on mixtures ofparticles with two and three patches as this includes the mixture where "empty" fluids were originally reported. In addition to the number of patches, thespecies differ in the type of patches or bonding sites. For simplicity, we consider that the patches on each species are identical: one species has threepatches of type A and the other has two patches of type B. We have found a rich phase behavior with closed miscibility gaps, liquid-liquid demixing, and negative azeotropes. Liquid-liquid demixing was found to pre-empt the "empty" fluid regime, of these mixtures, when the AB bonds are weaker than the AA or BB bonds. By contrast, mixtures in this class exhibit "empty" fluid behavior when the AB bonds are stronger than at least one of the other two. Mixtureswith bonding energies epsilon(BB) = epsilon(AB) and epsilon(AA) < epsilon(BB), were found to exhibit an unusual negative azeotrope. (C) 2011 American Institute of Physics. [doi:10.1063/1.3561396]

Knowledge extraction from medium voltage load diagrams to support the definition of electrical tariffs

With the electricity market liberalization, distribution and retail companies are looking for better market strategies based on adequate information upon the consumption patterns of its electricity customers. In this environment all consumers are free to choose their electricity supplier. A fair insight on the customer´s behaviour will permit the definition of specific contract aspects based on the different consumption patterns. In this paper Data Mining (DM) techniques are applied to electricity consumption data from a utility client’s database. To form the different customer´s classes, and find a set of representative consumption patterns, we have used the Two-Step algorithm which is a hierarchical clustering algorithm. Each consumer class will be represented by its load profile resulting from the clustering operation. Next, to characterize each consumer class a classification model will be constructed with the C5.0 classification algorithm.

A resource for signs and Feynman diagrams of the standart model

When performing a full calculation within the standard model (SM) or its extensions, it is crucial that one utilizes a consistent set of signs for the gauge couplings and gauge fields. Unfortunately, the literature is plagued with differing signs and notations. We present all SM Feynman rules, including ghosts, in a convention-independent notation, and we table the conventions in close to 40 books and reviews.

Construção e edição de diagramas de Voronoi na esfera

Dissertação para obtenção do Grau de Doutor em Informática

Noise-induced scenario for inverted phase diagrams

We introduce a class of exactly solvable models exhibiting an ordering noise-induced phase transition in which order arises as a result of a balance between the relaxing deterministic dynamics and the randomizing character of the fluctuations. A finite-size scaling analysis of the phase transition reveals that it belongs to the universality class of the equilibrium Ising model. All these results are analyzed in the light of the nonequilibrium probability distribution of the system, which can be obtained analytically. Our results could constitute a possible scenario of inverted phase diagrams in the so-called lower critical solution temperature transitions.

Accuracy in the experimental calorimetric study of the crystallization kinetics and predicitve transformation diagrams: Application to a Ga-Te amorphous alloy

The uncertainties inherent to experimental differential scanning calorimetric data are evaluated. A new procedure is developed to perform the kinetic analysis of continuous heating calorimetric data when the heat capacity of the sample changes during the crystallization. The accuracy of isothermal calorimetric data is analyzed in terms of the peak-to-peak noise of the calorimetric signal and base line drift typical of differential scanning calorimetry equipment. Their influence in the evaluation of the kinetic parameters is discussed. An empirical construction of the time-temperature and temperature heating rate transformation diagrams, grounded on the kinetic parameters, is presented. The method is applied to the kinetic study of the primary crystallization of Te in an amorphous alloy of nominal composition Ga20Te80, obtained by rapid solidification.

The use of Rich and Suter diagrams to explain the electron configurations of transition elements

Rich and Suter diagrams are a very useful tool to explain the electron configurations of all transition elements, and in particular, the s¹ and s0 configurations of the elements Cr, Cu, Nb, Mo, Ru, Rh, Pd, Ag, and Pt. The application of these diagrams to the inner transition elements also explains the electron configurations of lanthanoids and actinoids, except for Ce, Pa, U, Np, and Cm, whose electron configurations are indeed very special because they are a mixture of several configurations.