Simulation of electron density maps for two-dimensional crystal structures using Mathematica

Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)

Estimation of crowd density using image processing

Human beings perceive images through their properties, like colour, shape, size, and texture. Texture is a fertile source of information about the physical environment. Images of low density crowds tend to present coarse textures, while images of dense crowds tend to present fine textures. This paper describes a new technique for automatic estimation of crowd density, which is a part of the problem of automatic crowd monitoring, using texture information based on grey-level transition probabilities on digitised images. Crowd density feature vectors are extracted from such images and used by a self organising neural network which is responsible for the crowd density estimation. Results obtained respectively to the estimation of the number of people in a specific area of Liverpool Street Railway Station in London (UK) are presented.

Effect of the density and of the distance of Brachiaria decumbens staff on the initial growth of Coffea arabica L. Seedligns

The aim of this work was to evaluate the interference of three densities (4, 8 and 16 plants/m 2) of Brachiaria decumbens Stapf distributed at three different distances (0, 10 and 20 cm from coffee plants) on the initial growth of Coffea arabica L. seedlings. Dark red Latosoil was used as substrate to fill up 70 liters cement boxes. Coffee seedlings at 15 cm height and 8 leaves stage were planted in each box. B. decumbens seedlings were transplanted when they reached two to four leaves stage. The experimental design was a randomized blocks with ten treatments and three replications. At the end of the experiment were measured, height, leaf number, leaf area, chlorophyll content and dry weight of coffee plants. Dry weight of B. decumbens leaves was also evaluated. The leaf area and leaf dry weight was shown to be more sensitive parameters to the interference of Brachiaria plants. Dry weight of coffee plants were reduced from 60% to 88% when the B. decumbens were transplanted 0 cm from the coffee plant. With distance of 10 cm the reduction of dry weight increased with the increase of the density of the B. decumbens. In the coexistence of the coffee plants with 16 plants/m 2 of B. decumbens, there was a reduction in the dry weight of about 80% at the distances of 0 and 20 cm. Regarding leaf area, the reduction was 47% on the average in the density of 4 plants/m 2 of B. decumbens The reduction in leaf area at other densities was higher at the distance of 0 and 20 cm, and 55% reduction was obtained at the distance of 10 cm.

Effect of plant density on Stevia rebaudiana Bertoni water consumption

Stevia rebaudiana is a traditional crop of Latin America, now rising to international interest thanks to its specific glycosides that are very sweet and still poor of calories making its potential interesting for dietary recommendations. Its short growing cycle makes this species possible as an annual crop also in non tropical areas, including the Mediterranean Basin and parts of Italy, where rainfall or irrigation is available during late spring and summer. One of the main concerns is the quantity of water necessary for the crop and the ideal number of plants per hectare in order to maximize water use efficiency. The present research was carried out in central Italy to compare yields and water consumption in plots with three plant densities (50, 25, 16 plants per square metre). The results show that the most dense plots can give the best results in the area of the trial.

Influence of stocking density on weight gain and behavior of feedlot lambs

The aim of this study was to verify the influence of the animal density on the weight gain and behavior of confined lambs. 86 animals were confined after weaning in 23 pens of two lambs each (double pens) and four pens of ten animals each (collective pens). During the 80 days of confinement all lambs received the same diet and the animals were weighed at the beginning of the trial and every 14 days for the control of the weight gain. The behavioral patterns were recorded by focal sampling method using a time sampling of 30 minutes, from 6:00 am to 6:00 pm, for 4 days. The behavioral variables were: posture (standing; lying), activity (eating; ruminating; leisure; drinking water; grooming) and events (nid-nodding; pushing; picking up; bellowing; mounting; defecating; urinating). For the evaluation of the weight gain and behavior of the animals an analysis of variance and multiple comparison procedure by Student t test was used. The average weight gain was higher for pen animals (0.228 kg/day) compared to the animals housed in the collective pens (0.208 kg/day; P = 0.07). A higher percentage of animals housed in double pens remained standing compared to the animals housed in collective pens at 8:30 am (P < 0.05), 11:30 am (P < 0.01), 2:30 pm (P < 0.01), 4:30 pm (P < 0.01), and 5:30 pm (P < 0.01). For the eating activity, it was observed that 6.9% more animals kept in the double pens remained in this activity at 8:30 am (P < 0.05) and 4:30 pm (P < 0.05), than in collective pen. No statistical difference was found for the other activities and events between treatments. The number of animals per group influenced the behavior of confined lambs, changing the pattern of food intake which could improve the weight gain. © 2013 Elsevier B.V. All rights reserved.

Equation of Motion Governing the Dynamics of Vertically Collapsing Buildings

The present paper aims at contributing to a discussion, opened by several authors, on the proper equation of motion that governs the vertical collapse of buildings. The most striking and tragic example is that of the World Trade Center Twin Towers, in New York City, about 10 years ago. This is a very complex problem and, besides dynamics, the analysis involves several areas of knowledge in mechanics, such as structural engineering, materials sciences, and thermodynamics, among others. Therefore, the goal of this work is far from claiming to deal with the problem in its completeness, leaving aside discussions about the modeling of the resistive load to collapse, for example. However, the following analysis, restricted to the study of motion, shows that the problem in question holds great similarity to the classic falling-chain problem, very much addressed in a number of different versions as the pioneering one, by von Buquoy or the one by Cayley. Following previous works, a simple single-degree-of-freedom model was readdressed and conceptually discussed. The form of Lagrange's equation, which leads to a proper equation of motion for the collapsing building, is a general and extended dissipative form, which is proper for systems with mass varying explicitly with position. The additional dissipative generalized force term, which was present in the extended form of the Lagrange equation, was shown to be derivable from a Rayleigh-like energy function. DOI: 10.1061/(ASCE)EM.1943-7889.0000453. (C) 2012 American Society of Civil Engineers.

Analytische Ableitungen der Energie für den "Equation-of-Motion-Coupled-Cluster"-Ansatz zur Berechnung von Ionisationspotentialen

In der vorliegenden Arbeit wird die Theorie der analytischen zweiten Ableitungen für die EOMIP-CCSD-Methode formuliert sowie die durchgeführte Implementierung im Quantenchemieprogramm CFOUR beschrieben. Diese Ableitungen sind von Bedeutung bei der Bestimmung statischer Polarisierbarkeiten und harmonischer Schwingungsfrequenzen und in dieser Arbeit wird die Genauigkeit des EOMIP-CCSD-Ansatzes bei der Berechnung dieser Eigenschaften für verschiedene radikalische Systeme untersucht. Des Weiteren können mit Hilfe der ersten und zweiten Ableitungen vibronische Kopplungsparameter berechnet werden, welche zur Simulation von Molekülspektren in Kombination mit dem Köppel-Domcke-Cederbaum (KDC)-Modell - in der Arbeit am Beispiel des Formyloxyl (HCO2)-Radikals demonstriert - benötigt werden.rnrnDer konzeptionell einfache EOMIP-CC-Ansatz wurde gewählt, da hier die Wellenfunktion eines Radikalsystems ausgehend von einem stabilen geschlossenschaligen Zustand durch die Entfernung eines Elektrons gebildet wird und somit die Problematik der Symmetriebrechung umgangen werden kann. Im Rahmen der Implementierung wurden neue Programmteile zur Lösung der erforderlichen Gleichungen für die gestörten EOMIP-CC-Amplituden und die gestörten Lagrange-Multiplikatoren zeta zum Quantenchemieprogramm CFOUR hinzugefügt. Die unter Verwendung des Programms bestimmten Eigenschaften werden hinsichtlich ihrer Leistungsfähigkeit im Vergleich zu etablierten Methoden wie z.B. CCSD(T) untersucht. Bei der Berechnung von Polarisierbarkeiten und harmonischen Schwingungsfrequenzen liefert die EOMIP-CCSD-Theorie meist gute Resultate, welche nur wenig von den CCSD(T)-Ergebnissen abweichen. Einzig bei der Betrachtung von Radikalen, für die die entsprechenden Anionen nicht stabil sind (z.B. NH2⁻ und CH3⁻), liefert der EOMIP-CCSD-Ansatz aufgrund methodischer Nachteile keine aussagekräftige Beschreibung. rnrnDie Ableitungen der EOMIP-CCSD-Energie lassen sich auch zur Simulation vibronischer Kopplungen innerhalb des KDC-Modells einsetzen.rnZur Kopplung verschiedener radikalischer Zustände in einem solchen Modellpotential spielen vor allem die Ableitungen von Übergangsmatrixelementen eine wichtige Rolle. Diese sogenannten Kopplungskonstanten können in der EOMIP-CC-Theorie besonders leicht definiert und berechnet werden. Bei der Betrachtung des Photoelektronenspektrums von HCO2⁻ werden zwei Alternativen untersucht: Die vertikale Bestimmung an der Gleichgewichtsgeometrie des HCO2⁻-Anions und die Ermittlung adiabatischer Kraftkonstanten an den Gleichgewichtsgeometrien des Radikals. Lediglich das adiabatische Modell liefert bei Beschränkung auf harmonische Kraftkonstanten eine qualitativ sinnvolle Beschreibung des Spektrums. Erweitert man beide Modelle um kubische und quartische Kraftkonstanten, so nähern sich diese einander an und ermöglichen eine vollständige Zuordnung des gemessenen Spektrums innerhalb der ersten 1500 cm⁻¹. Die adiabatische Darstellung erreicht dabei nahezu quantitative Genauigkeit.

EXPLORATION, NORMALIZATION, AND GENOTYPE CALLS OF HIGH DENSITY OLIGONUCLEOTIDE SNP ARRAY DATA

In most microarray technologies, a number of critical steps are required to convert raw intensity measurements into the data relied upon by data analysts, biologists and clinicians. These data manipulations, referred to as preprocessing, can influence the quality of the ultimate measurements. In the last few years, the high-throughput measurement of gene expression is the most popular application of microarray technology. For this application, various groups have demonstrated that the use of modern statistical methodology can substantially improve accuracy and precision of gene expression measurements, relative to ad-hoc procedures introduced by designers and manufacturers of the technology. Currently, other applications of microarrays are becoming more and more popular. In this paper we describe a preprocessing methodology for a technology designed for the identification of DNA sequence variants in specific genes or regions of the human genome that are associated with phenotypes of interest such as disease. In particular we describe methodology useful for preprocessing Affymetrix SNP chips and obtaining genotype calls with the preprocessed data. We demonstrate how our procedure improves existing approaches using data from three relatively large studies including one in which large number independent calls are available. Software implementing these ideas are avialble from the Bioconductor oligo package.

The effects of population density on the spread of disease

The objective of this study is to identify the relationship between population density and the initial stages of the spread of disease in a local population. This study proposes to concentrate on the question of how population density affects the distribution of the susceptible individuals in a local population and thus affects the spread of the disease, measles. Population density is measured by the average of the number of contacts with susceptible individuals by each individual in the population during a fixed-length time period. The term “contact with susceptible individuals” means sufficient contact between two people for the disease to pass from an infectious person to a susceptible person. The fixed-length time period is taken to be the average length of time an infected person is infectious without symptoms of the disease. For this study of measles, the time period will be seven days. ^ While much attention has been given to modeling the entire epidemic process of measles, attempts have not been made to study the characteristics of contact rates required to initiate an epidemic. This study explores the relationship between population density, given a specific herd immunity rate in the population, and initial rate of the spread of the disease by considering the underlying distribution of contacts with susceptibles by the individuals in the population. ^ This study does not seek to model an entire measles epidemic, but to model the above stated relationship for the local population within which the first infective person is introduced. This study describes the mathematical relationship between population density parameters and contact distribution parameters. ^ The results are displayed in graphs that show the effects of different population densities on the spread of disease. The results support the idea that the number of new infectives is strongly related to the distribution of susceptible contacts. The results also show large differences in the epidemic measures between populations with densities equal to four versus three. ^

Equation of state for hot dense matter using a relativistic screened hydrogenic model

The study of matter under conditions of high density, pressure, and temperature is a valuable subject for inertial confinement fusion (ICF), astrophysical phenomena, high-power laser interaction with matter, etc. In all these cases, matter is heated and compressed by strong shocks to high pressures and temperatures, becomes partially or completely ionized via thermal or pressure ionization, and is in the form of dense plasma. The thermodynamics and the hydrodynamics of hot dense plasmas cannot be predicted without the knowledge of the equation of state (EOS) that describes how a material reacts to pressure and how much energy is involved. Therefore, the equation of state often takes the form of pressure and energy as functions of density and temperature. Furthermore, EOS data must be obtained in a timely manner in order to be useful as input in hydrodynamic codes. By this reason, the use of fast, robust and reasonably accurate atomic models, is necessary for computing the EOS of a material.

Equilibrium distributions of topological states in circular DNA: Interplay of supercoiling and knotting

Two variables define the topological state of closed double-stranded DNA: the knot type, K, and ΔLk, the linking number difference from relaxed DNA. The equilibrium distribution of probabilities of these states, P(ΔLk, K), is related to two conditional distributions: P(ΔLk|K), the distribution of ΔLk for a particular K, and P(K|ΔLk) and also to two simple distributions: P(ΔLk), the distribution of ΔLk irrespective of K, and P(K). We explored the relationships between these distributions. P(ΔLk, K), P(ΔLk), and P(K|ΔLk) were calculated from the simulated distributions of P(ΔLk|K) and of P(K). The calculated distributions agreed with previous experimental and theoretical results and greatly advanced on them. Our major focus was on P(K|ΔLk), the distribution of knot types for a particular value of ΔLk, which had not been evaluated previously. We found that unknotted circular DNA is not the most probable state beyond small values of ΔLk. Highly chiral knotted DNA has a lower free energy because it has less torsional deformation. Surprisingly, even at |ΔLk| > 12, only one or two knot types dominate the P(K|ΔLk) distribution despite the huge number of knots of comparable complexity. A large fraction of the knots found belong to the small family of torus knots. The relationship between supercoiling and knotting in vivo is discussed.

Conversion of low density polyethylene into fuel through co-processing with vacuum gas oil in a fluid catalytic cracking riser reactor

In this work, mixtures of vacuum gas oil and low density polyethylene, a major component of common industrial and consumer household plastics, were pyrolytically co-processed in a fluid catalytic cracking (FCC) riser reactor as a viable alternative for the energy and petrochemical revalorisation of plastic wastes into valuable petrochemical feedstocks and fuel within an existing industrial technology. Using equilibrium FCC catalyst, the oil–polymer blends were catalytically cracked at different processing conditions of temperatures between 773 K and 973 K and catalyst feed ratios of 5:1, 7:1 and 10:1. The influence of each of these processing parameters on the cracking gas and liquid yield patterns were studied and presented. Further analysed and presented are the different compositional distributions of the obtained liquids and gaseous products. The analysis of the results obtained revealed that with very little modifications to existing process superstructure, yields and compositional distributions of products from the fluid catalytic cracking of the oil–polymer blend in many cases were very similar to those of the processed oil feedstock, bringing to manifest the viability of the feedstock co-processing without significant detriments to FCC product yields and quality.

Impact of scatterer density on the performances of double-scattering MIMO channels

We investigate a MIMO double-scattering model with both local and remote scatterers, aiming to investigate the effect of scatterer density on channel performances, such as capacity, correlation, and the condition number of the channel matrix in flat and frequency-selective fading channels. The investigations are carried out in terms of scatterer density. It is shown that in flat fading channels the scatterer density has a marginal effect on channel performances when the area of the two scatterer zones is fixed, while a significant impact is observed when the area of the scatterer zones is allowed to change. In frequency-selective fading channels, no matter the area of the scatterer zones is fixed or not, scatterer density can affect the channel capacity to a certain degree that depends on the length of the coding block of the transmitted signals. © 2010 IEEE.

Non-equilibrium thermodynamics of harmonically trapped bosons

We apply the framework of non-equilibrium quantum thermodynamics to the physics of quenched small-size bosonic quantum gases in a harmonic trap. By studying the temporal behaviour of the Loschmidt echo and of the atomic density profile within the trap, which are informative of the non-equilibrium physics and the correlations among the particles, we establish a link with the statistics of (irreversible) work done on the system. This highlights interesting connections between the degree of inter-particle entanglement and the non-equilibrium thermodynamics of the system.