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.

School governance and academic excellence: the representations of distinguished students in an annual award of excellence

Within a research project on «academic excellence in the state school», this paper is a contribution to the sociological reflection on the cultural and organisational characteristics of the school and its relationship with the academic success of students. The data we present stem from a case study underway at a secondary school in the north of Portugal, referring to the universe of students that since 2003 have distinguished themselves for achieving grades equal to or greater than 18 (on a scale of 0 to 20) and have thus been included in the school’s Framework of Excellence. From a contextual approach to this educational practice, we focused on the cultural characteristics of the school/subject as analytical support for the study of school and non-school dimensions in their mutual connections. To this end, we used the information from document analysis and data collected from a questionnaire survey administered to more than two-thirds of the students included in the above-mentioned Framework of Excellence. Subsequently, we will use the data from this survey to understand the extent to which academic excellence is perceived as an indivisible social construction of the school’s political and organisational matrix, particularly in terms of the educational and teaching guidelines adopted by the management body. We will conclude by questioning the meaning of the school’s management policies regarding the emphasis on educational outcomes, with particular focus on the representations of excellent students in the processes of school leadership, teaching organisation, school merit and justice.

Continuous-flow precipitation as a route to prepare highly controlled nanohydroxyapatite

[Excerpt] Hydroxyapatite Ca10(PO4)6(OH)2 (HAp) has been widely used for biomedical purposes because of its exceptional biocompatibility, bioactivity and osteoconductivity [1]. As these properties are directly related to HAp particles characteristics (size, morphology and purity), a very good control of the reaction conditions is required to obtain particles with the desired properties. Usually, HAp is synthesized by wet chemical precipitation in stirred tank batch reactors that often lead to inconsistencies in product specifications due to their low mixing efficiency [2]. (...)

Metodologias para a qualificação de águas minerais naturais e águas de nascente

Dissertação de mestrado em Ordenamento e Valorização de Recursos Geológicos

Dieta da torda-mergulheira, Alca torda, capturada acidentalmente em Portugal Continental

Dissertação de mestrado em Ecologia

A design of experiments to assess phosphorous removal and crystal properties in struvite precipitation of source separated urine using different Mg sources

Supplementary data associated with this article can be found, in the online version, at: http://dx.doi.org/10.1016/j.cej.2016.03.148.