Parallelization of kinetic Monte Carlo algorithm to simulate AL3Sc precipitation

The present paper reports the precipitation process of Al3Sc structures in an aluminum scandium alloy, which has been simulated with a synchronous parallel kinetic Monte Carlo (spkMC) algorithm. The spkMC implementation is based on the vacancy diffusion mechanism. To filter the raw data generated by the spkMC simulations, the density-based clustering with noise (DBSCAN) method has been employed. spkMC and DBSCAN algorithms were implemented in the C language and using MPI library. The simulations were conducted in the SeARCH cluster located at the University of Minho. The Al3Sc precipitation was successfully simulated at the atomistic scale with the spkMC. DBSCAN proved to be a valuable aid to identify the precipitates by performing a cluster analysis of the simulation results. The achieved simulations results are in good agreement with those reported in the literature under sequential kinetic Monte Carlo simulations (kMC). The parallel implementation of kMC has provided a 4x speedup over the sequential version.

Influence of ageing on the properties of bitumen from asphalt mixtures with recycled concrete aggregates

The reuse of recycled concrete aggregates in new hot-mix asphalt can be a more sustainable method of production, but these mixtures may need a heat treatment before compaction to improve their water sensitivity performance. A direct consequence of this treatment is an increase in the hot-mix asphalt resilient modulus. The aim of this paper is to analyse the effect of ageing on the stiffness of asphalt mixtures with different amounts of recycled concrete aggregates, before and after a heat treatment, which was analysed through the assessment of its bitumen properties. Moreover, this paper also aims to analyse whether the rolling thin-film oven test is able to simulate the ageing effect of the heat treatment. In the laboratory work, a paving grade bitumen B50/70 has been used to produce asphalt mixtures with 0% and 30% recycled concrete aggregates, and the bitumen was later characterised (using penetration, softening point, dynamic viscosity and dynamic shear rheometer tests) in various situations, such as when using virgin bitumen, short-term aged bitumen, aged bitumen after heat treatment (simulated with 4 h of rolling thin-film oven test) and bitumen samples recovered from asphalt mixtures with different production mixes (0% and 30% recycled concrete aggregate) and heat treatment conditions (0 and 4 h of curing time in the oven). Based on the results obtained, it could be concluded that the ageing resulting from the heat treatment is the primary cause of the hot-mix asphalt's increased stiffness, while recycled concrete aggregate content has a small influence. Moreover, it could be concluded that when there is no curing time, the recycled concrete aggregate protects the bitumen against ageing. Additionally, it could be stated that the rolling thin-film test is able to adequately simulate the ageing effect of the heat treatment. Thus, this test is useful for determining the ageing suffered by the bitumen when the recycled concrete aggregate mixture is manufactured using a heat treatment.

Uma ferramenta para cálculo da máxima intensidade da ilha de calor noturna

O objetivo deste artigo é verificar a influência da geometria urbana na intensidade de ilhas de calor noturnas com uso de uma ferramenta computacional desenvolvida como extensão de um SIG. O método deste trabalho está dividido em três principais etapas: desenvolvimento da ferramenta, calibração do modelo e simulação de cenários hipotéticos com diferentes geometrias urbanas. Um modelo simplificado que relaciona as intensidades máximas de ilha de calor urbana (ICUmáx) com a geometria urbana foi incorporado à subrotina de cálculo e, posteriormente, adaptado para fornecer resultados mais aproximados à realidade de duas cidades brasileiras, as quais serviram de base para a calibração do modelo. A comparação entre dados reais e simulados mostraram uma diferença no aumento da ICUmáx em função da relação H/W e da faixa de comprimento de rugosidade (Z0). Com a ferramenta já calibrada, foi realizada uma simulação de diferentes cenários urbanos, demonstrando que o modelo simplificado original subestima valores de ICUmáx para as configurações de cânions urbanos de Z0 < 2,0 e superestima valores de ICUmáx para as configurações de cânions urbanos de Z0 ≥ 2,0. Além disso, este estudo traz como contribuição à verificação de que cânions urbanos com maiores áreas de fachadas e com alturas de edificações mais heterogêneas resultam em ICUmáx menores em relação aos cânions mais homogêneos e com maiores áreas médias ocupadas pelas edificações, para um mesmo valor de relação H/W. Essa diferença pode ser explicada pelos diferentes efeitos na turbulência dos ventos e nas áreas sombreadas provocados pela geometria urbana.

Leaf herbivory on three tree species in a monodominant and two other Terra firme forests on Maracá Island, Brazil

The aim of this study was to test the hypothesis that the monodominant non-pioneer Peltogyne gracilipes, typically does not suffer density-dependent herbivory (Janzen-Connell model). Two components of intraspecific variation in leaf herbivory were measured: 1) the variation between individuals in the population at the same time and 2) the temporal variation in rates of damage to each individual. The study was carried out on Maracá Island, Roraima, Brazil in three plots (50 m χ 50 m) in each of three forest types: Peltogyne-rich forest (PRF), Peltogyne-poor forest (PPF), and forest without Peltogyne (FWP). Two other non-pioneer species (Ecclinusa guianensis and Pradosia surinamensis) were chosen for comparison because they were fairly abundant and their seedlings could be readily identified. The values of leaf area removed by herbivores of trees and seedlings of the three study species were in the range reported for other tropical tree species (2-16%, standing damage). There were no differences within species between forests. However, there was a significant difference among species but this was not correlated with seedling density. Peltogyne seedlings showed no evidence of density-dependent herbivory as predicted by the Janzen-Connell model despite the fact that adult trees were observed to suffer a mass defoliation in April 1992. This result suggests that Peltogyne may be dominant partly due to escape from herbivory in the early stages of its life although it may suffer occasional mass defoliation as an adult.

Shear strengthening of damaged reinforced concrete beams with hybrid composite plates

This paper aims to evaluate experimentally the potentialities of Hybrid Composite Plates (HCPs) technique for the shear strengthening of reinforced concrete (RC) beams that were previously subjected to intense damage in shear. HCP is a thin plate of Strain Hardening Cementitious Composite (SHCC) reinforced with Carbon Fiber Reinforced Polymer (CFRP) laminates. For this purpose, an experimental program composed of two series of beams (rectangular and T cross section) was executed to assess the strengthening efficiency of this technique. In the first step of this experimental program, the control beams, without steel stirrups, were loaded up to their shear failure, and fully unloaded. Then, these pre-damaged beams were shear strengthened by applying HCPs to their lateral faces by using a combination of epoxy adhesive and mechanical anchors. The bolts were applied with a certain torque in order to increase the concrete confinement. The obtained results showed that the increase of load carrying capacity of the damaged strengthened beams when HCPs were applied with epoxy adhesive and mechanical anchors was 2 and 2.5 times of the load carrying capacity of the corresponding reference beams (without HCPs) for the rectangular and T cross section beam series, respectively. To further explore the potentialities of the HCPs technique for the shear strengthening, the experimental tests were simulated using an advanced numerical model by a FEM-based computer program. After demonstration the good predictive performance of the numerical model, a parametric study was executed to highlight the influence of SHCC as an alternative for mortar, as well as the influence of torque level applied to the mechanical anchors, on the load carrying capacity of beams strengthened with the proposed technique.

Plastic-damage smeared crack model to simulate the behaviour of structures made by cement based materials

This work proposes a constitutive model to simulate nonlinear behaviour of cement based materials subjected to different loading paths. The model incorporates a multidirectional fixed smeared crack approach to simulate crack initiation and propagation, whereas the inelastic behaviour of material between cracks is treated by a numerical strategy that combines plasticity and damage theories. For capturing more realistically the shear stress transfer between the crack surfaces, a softening diagram is assumed for modelling the crack shear stress versus crack shear strain. The plastic damage model is based on the yield function, flow rule and evolution law for hardening variable, and includes an explicit isotropic damage law to simulate the stiffness degradation and the softening behaviour of cement based materials in compression. This model was implemented into the FEMIX computer program, and experimental tests at material scale were simulated to appraise the predictive performance of this constitutive model. The applicability of the model for simulating the behaviour of reinforced concrete shear wall panels submitted to biaxial loading conditions, and RC beams failing in shear is investigated.

Effect of environmental ageing on the numerical response of FRP-strengthened masonry walls

Recent durability studies have shown the susceptibility of bond in fiber-reinforced polymer (FRP) strengthened masonry components to hygrothermal exposures. However, it is not clear how this local material degradation affects the global behavior of FRP-strengthened masonry structures. This study addresses this issue by numerically investigating the nonlinear behavior of FRP-masonry walls after aging in two different environmental conditions. A numerical modeling strategy is adopted and validated with existing experimental tests on FRP-strengthened masonry panels. The model, once validated, is used for modeling of four hypothetical FRP-strengthened masonry walls with different boundary conditions, strengthening schemes, and reinforcement ratios. The nonlinear behavior of the walls is then simulated before and after aging in two different environmental conditions. The degradation data are taken from previous accelerated aging tests. The changes in the failure mode and nonlinear response of the walls after aging are presented and discussed.

Seismic evaluation of environmentally degraded FRP-strengthened masonry walls

Fiber Reinforced Polymers (FRPs) have been extensively used for externally bonded reinforcement of masonry structures during the last years. Available information shows that FRPs can significantly improve the seismic performance of masonry elements without altering their structural mass. However, the durability and long-term performance of the strengthened elements are not clearly known yet. Recent experimental results show that environmental conditions can lead to degradation of the bond between FRP and masonry and FRP delaminations. But the effect of these local degradation mechanisms on the global structural response is not studied yet. This paper is therefore aimed at numerically investigating the effect of environmental degradation on the global performance of strengthened masonry walls. The nonlinear behavior of masonry walls strengthened with FRP composites is initially simulated with the aim of a FE package. The adopted numerical modeling strategy is verified by comparison of numerical and experimental results. The model, once validated, is used for investigating the effect of materials and bond degradation on the global behavior and failure modes of strengthened walls. The effect of strengthening scheme on the long-term performance of strengthened walls is also investigated. The degradation data are taken from experimental tests previously performed by the authors. The numerical results show that the effect of local material degradation on the global response of strengthened walls depends on the strengthening schemes, and severity of the environmental conditions. Moreover, environmental induced degradations and FRP delaminations can lead to change of expected failure modes in the strengthened elements. These observations, that are usually neglected at the design stage, can be critical in the long-term performance of strengthened structures.

A novel approach for honey pollen profile assessment using an electronic tongue and chemometric tools

Nowadays the main honey producing countries require accurate labeling of honey before commercialization, including floral classification. Traditionally, this classification is made by melissopalynology analysis, an accurate but time-consuming task requiring laborious sample pre-treatment and high-skilled technicians. In this work the potential use of a potentiometric electronic tongue for pollinic assessment is evaluated, using monofloral and polyfloral honeys. The results showed that after splitting honeys according to color (white, amber and dark), the novel methodology enabled quantifying the relative percentage of the main pollens (Castanea sp., Echium sp., Erica sp., Eucaliptus sp., Lavandula sp., Prunus sp., Rubus sp. and Trifolium sp.). Multiple linear regression models were established for each type of pollen, based on the best sensors sub-sets selected using the simulated annealing algorithm. To minimize the overfitting risk, a repeated K-fold cross-validation procedure was implemented, ensuring that at least 10-20% of the honeys were used for internal validation. With this approach, a minimum average determination coefficient of 0.91 ± 0.15 was obtained. Also, the proposed technique enabled the correct classification of 92% and 100% of monofloral and polyfloral honeys, respectively. The quite satisfactory performance of the novel procedure for quantifying the relative pollen frequency may envisage its applicability for honey labeling and geographical origin identification. Nevertheless, this approach is not a full alternative to the traditional melissopalynologic analysis; it may be seen as a practical complementary tool for preliminary honey floral classification, leaving only problematic cases for pollinic evaluation.

Evaluating ubiquitous computing environments using 3D simulation

Human activity is very dynamic and subtle, and most physical environments are also highly dynamic and support a vast range of social practices that do not map directly into any immediate ubiquitous computing functionally. Identifying what is valuable to people is very hard and obviously leads to great uncertainty regarding the type of support needed and the type of resources needed to create such support. We have addressed the issues of system development through the adoption of a Crowdsourced software development model [13]. We have designed and developed Anywhere places, an open and flexible system support infrastructure for Ubiquitous Computing that is based on a balanced combination between global services and applications and situated devices. Evaluation, however, is still an open problem. The characteristics of ubiquitous computing environments make their evaluation very complex: there are no globally accepted metrics and it is very difficult to evaluate large-scale and long-term environments in real contexts. In this paper, we describe a first proposal of an hybrid 3D simulated prototype of Anywhere places that combines simulated and real components to generate a mixed reality which can be used to assess the envisaged ubiquitous computing environments [17].

Process simulation support in BPM tools: The case of BPMN

Due to the increasing acceptance of BPM, nowadays BPM tools are extensively used in organizations. Core to BPM are the process modeling languages, of which BPMN is the one that has been receiving most attention these days. Once a business process is described using BPMN, one can use a process simulation approach in order to find its optimized form. In this context, the simulation of business processes, such as those defined in BPMN, appears as an obvious way of improving processes. This paper analyzes the business process modeling and simulation areas, identifying the elements that must be present in the BPMN language in order to allow processes described in BPMN to be simulated. During this analysis a set of existing BPM tools, which support BPMN, are compared regarding their limitations in terms of simulation support.

Blast loading of masonry infills: testing and simulation

This work intends to present a newly developed test setup for dynamic out-of-plane loading using underWater Blast Wave Generators (WBWG) as loading source. Underwater blasting operations have been, during the last decades, subject of research and development of maritime blasting operations (including torpedo studies), aquarium tests for the measurement of blasting energy of industrial explosives and confined underwater blast wave generators. WBWG allow a wide range for the produced blast impulse and surface area distribution. It also avoids the generation of high velocity fragments and reduces atmospheric sound wave. A first objective of this work is to study the behavior of masonry infill walls subjected to blast loading. Three different masonry walls are to be studied, namely unreinforced masonry infill walls and two different reinforcement solutions. These solutions have been studied previously for seismic action mitigation. Subsequently, the walls will be simulated using an explicit finite element code for validation and parametric studies. Finally, a tool to help designers to make informed decisions on the use of infills under blast loading will be presented.

A spectrum-driven damage Identification technique : application and validation through the numerical simulation of the Z24 Bridge

The present paper focuses on a damage identification method based on the use of the second order spectral properties of the nodal response processes. The explicit dependence on the frequency content of the outputs power spectral densities makes them suitable for damage detection and localization. The well-known case study of the Z24 Bridge in Switzerland is chosen to apply and further investigate this technique with the aim of validating its reliability. Numerical simulations of the dynamic response of the structure subjected to different types of excitation are carried out to assess the variability of the spectrum-driven method with respect to both type and position of the excitation sources. The simulated data obtained from random vibrations, impulse, ramp and shaking forces, allowed to build the power spectrum matrix from which the main eigenparameters of reference and damage scenarios are extracted. Afterwards, complex eigenvectors and real eigenvalues are properly weighed and combined and a damage index based on the difference between spectral modes is computed to pinpoint the damage. Finally, a group of vibration-based damage identification methods are selected from the literature to compare the results obtained and to evaluate the performance of the spectral index.

Algorithms and tools for in silico design of cell factories

PhD thesis in Bioengineering

Innovative methodologies for the enhancement of the flexural strengthening performance of NSM CFRP technique for RC beams

Tese de Doutoramento em Engenharia Civil