Parametric and Model Uncertainties Induced by Reduced Order Chemical Mechanisms for Biogas Combustion

This study investigates the impact of chemical kinetic uncertainties on biogas combustion using a Uncertainty Quantification (UQ)-based methodology. The results indicate that the variation of physicochemical properties introduced by composition variability introduces smaller uncertainties in the resulting flame properties than the Arrhenius parameters involved in the kinetics used to describe the oxidation process. We demonstrate that the use of reduced mechanisms for methane-air oxidation could be a starting point to develop optimized schemes for biogas combustion. In that regard, we adopted an embedded discrepancy approach to understanding the limits of the use of a reduced mechanism for methane/air in this renewable fuel. This strategy provides a way to reduce systematically the cost of reaction kinetics in simulations, while quantifying the accuracy of predictions of important target quantities. Finally, we develop a surrogate model for biogas flame propagation using machine learning techniques to make feasible a broader UQ analysis.The research leading to these results had received funding from the European Union’s Horizon2020 Programme (2014-2020) and from Brazilian Ministry of Science, Technology and Innovation through Rede Nacional de Pesquisa (RNP) under the HPC4E Project (www.hpc4e.eu), grant agreement number 689772Peer ReviewedPostprint (author's final draft

Towards predicting liquid fuel physicochemical properties using molecular dynamics guided machine learning models

Accurate determination of fuel properties of complex mixtures over a wide range of pressure and temperature conditions is essential to utilizing alternative fuels. The present work aims to construct cheap-to-compute machine learning (ML) models to act as closure equations for predicting the physical properties of alternative fuels. Those models can be trained using the database from MD simulations and/or experimental measurements in a data-fusion-fidelity approach. Here, Gaussian Process (GP) and probabilistic generative models are adopted. GP is a popular non-parametric Bayesian approach to build surrogate models mainly due to its capacity to handle the aleatory and epistemic uncertainties. Generative models have shown the ability of deep neural networks employed with the same intent. In this work, ML analysis is focused on two particular properties, the fuel density and diffusion, but it can also be extended to other physicochemical properties. This study explores the versatility of the ML models to handle multi-fidelity data. The results show that ML models can predict accurately the fuel properties of a wide range of pressure and temperature conditions.The research leading to these results had received funding from the Brazilian National Agency of Petroleum, Natural Gas and Biofuels (ANP) through Programa de Recursos Humanos (PRH) under the PRH 8 - Mechanical Engineering for the Efficient Use of Biofuels, grant agreement numbers F0A5.EDDE.B5C0.3BCB and 2B61.4F5C.A83B.A713.Peer ReviewedPostprint (published version

Tamanho de amostra para avaliação de caracteres de cenoura em sistemas de cultivo agroecológico.

O correto dimensionamento de experimentos deve ser utilizado para que se possa reduzir o erro experimental e com isso, maximizar a precisão das informações obtidas. O objetivo deste trabalho foi estimar o número mínimo de famílias e de plantas por parcela para avaliação de caracteres de raiz em uma população de cenoura cultivada em sistema agroecológico. Os ensaios foram conduzidos no verão de 2006/2007 em duas propriedades com cultivo agroecológico em Brasília: Associação Mokiti Okada, que segue modelo de Agricultura Natural em Brazlândia-DF e Núcleo Rural Taguatinga, seguindo modelo de Agricultura Orgânica em Taguatinga-DF. Foram avaliadas 100 famílias de meio-irmãos de cenoura dispostas em delineamento de blocos casualizados com duas repetições e parcelas de 1 m2. Foram colhidas 20 plantas competitivas por parcela e avaliadas individualmente para os caracteres comprimento de raiz, diâmetro da raiz, massa da raiz, diâmetro do xilema da raiz, relação diâmetro do xilema/diâmetro da raiz, tipo de ponta da raiz, tipo de ombro da raiz, parâmetro a* para os tecidos xilema e floema. Foi realizada análise de variância conjunta e para cada sistema, com informação entre e dentro de parcelas. Foram realizadas ainda análises de representatividade do número mínimo de famílias e de plantas para representar uma população de cenoura. Foi verificado que uma amostra de 18 plantas competitivas/parcela coletadas em ensaios com 2 repetições, bem como de 74 famílias, são suficientes para garantir uma adequada avaliação de famílias meio-irmãos de cenoura para os caracteres estudados

Antenna subtraction for gluon scattering at NNLO

We use the antenna subtraction method to isolate the double real radiation infrared singularities present in gluonic scattering amplitudes at next-to-next-to-leading order. The antenna subtraction framework has been successfully applied to the calculation of NNLO corrections to the 3-jet cross section and related event shape distributions in electron-positron annihilation. Here we consider processes with two coloured particles in the initial state, and in particular two-jet production at hadron colliders such as the Large Hadron Collider (LHC). We construct a subtraction term that describes the single and double unresolved contributions from the six-gluon tree-level process using antenna functions with initial state partons and show numerically that the subtraction term correctly approximates the matrix elements in the various single and double unresolved configurations.Comment: 71 pages, JHEP3 class; corrected typos, equivalent but more compact version of eq. (5.12), results unchange

How do we get there? Effects of cognitive aging on route memory

© 2017 The Author(s) Research into the effects of cognitive aging on route navigation usually focuses on differences in learning performance. In contrast, we investigated age-related differences in route knowledge after successful route learning. One young and two groups of older adults categorized using different cut-off scores on the Montreal Cognitive Assessment (MoCA), were trained until they could correctly recall short routes. During the test phase, they were asked to recall the sequence in which landmarks were encountered (Landmark Sequence Task), the sequence of turns (Direction Sequence Task), the direction of turn at each landmark (Landmark Direction Task), and to identify the learned routes from a map perspective (Perspective Taking Task). Comparing the young participant group with the older group that scored high on the MoCA, we found effects of typical aging in learning performance and in the Direction Sequence Task. Comparing the two older groups, we found effects of early signs of atypical aging in the Landmark Direction and the Perspective Taking Tasks. We found no differences between groups in the Landmark Sequence Task. Given that participants were able to recall routes after training, these results suggest that typical and early signs of atypical aging result in differential memory deficits for aspects of route knowledge

Angiotensin converting enzyme gene polymorphism is associated with severity of coronary artery disease in men with high total cholesterol levels

This study examines whether renin-angiotensin-aldosterone system gene polymorphisms: ACE (encoding for angiotensin converting enzyme) c.2306-117_404 I/D, AGTR1 (encoding for angiotensin II type-1 receptor) c.1080*86A>C and CYP11B2 (encoding for aldosterone synthase) c.-344C>T are associated with the extension of coronary atherosclerosis in a group of 647 patients who underwent elective coronary angiography. The extension of CAD was evaluated using the Gensini score. The polymorphisms were determined by PCR and RFLP assays. The associations between genotypes and the extent of coronary atherosclerosis were tested by the Kruskal-Wallis test, followed by pairwise comparisons using Wilcoxon test. The population has been divided into groups defined by: sex, smoking habit, past myocardial infarction, BMI (>, ≤ 25), age (>, ≤ 55), diabetes mellitus, level of total cholesterol (>, ≤ 200 mg/dl), LDL cholesterol (>, ≤ 130 mg/dl), HDL cholesterol (>, ≤ 40 mg/dl), triglycerides (>, ≤ 150 mg/dl). Significant associations between the ACE c.2306-117_404 I/D polymorphism and the Gensini score in men with high total cholesterol levels (PKruskal-Wallis = 0.008; Padjusted = 0.009), high level of LDL cholesterol (PKruskal-Wallis = 0.016; Padjusted = 0.028) and low level of HDL cholesterol (PKruskal-Wallis = 0.04; Padjusted = 0.055) have been found. No association between the AGTR1 c.1080*86A>C and CYP11B2 c.-344C>T and the Gensini score has been found. These results suggest that men who carry ACE c.2306-117_404 DD genotype and have high total cholesterol, high LDL cholesterol and low HDL cholesterol levels may be predisposed to the development of more severe CAD

The genomes of two key bumblebee species with primitive eusocial organization

Background: The shift from solitary to social behavior is one of the major evolutionary transitions. Primitively eusocial bumblebees are uniquely placed to illuminate the evolution of highly eusocial insect societies. Bumblebees are also invaluable natural and agricultural pollinators, and there is widespread concern over recent population declines in some species. High-quality genomic data will inform key aspects of bumblebee biology, including susceptibility to implicated population viability threats. Results: We report the high quality draft genome sequences of Bombus terrestris and Bombus impatiens, two ecologically dominant bumblebees and widely utilized study species. Comparing these new genomes to those of the highly eusocial honeybee Apis mellifera and other Hymenoptera, we identify deeply conserved similarities, as well as novelties key to the biology of these organisms. Some honeybee genome features thought to underpin advanced eusociality are also present in bumblebees, indicating an earlier evolution in the bee lineage. Xenobiotic detoxification and immune genes are similarly depauperate in bumblebees and honeybees, and multiple categories of genes linked to social organization, including development and behavior, show high conservation. Key differences identified include a bias in bumblebee chemoreception towards gustation from olfaction, and striking differences in microRNAs, potentially responsible for gene regulation underlying social and other traits. Conclusions: These two bumblebee genomes provide a foundation for post-genomic research on these key pollinators and insect societies. Overall, gene repertoires suggest that the route to advanced eusociality in bees was mediated by many small changes in many genes and processes, and not by notable expansion or depauperation