On the Structure of Amorphous Mesoporous Silica Nanoparticles by Aberration‐Corrected STEM

Mesoporous silica materials have demonstrated a vast spectrum of applications, stimulating an intensive field of study due to their potential use as nanocarriers. Nonetheless, when produced at the nanoscale, their structural characterization is hindered due to the re‐arrangement of the pores. To address this issue, this work combines molecular dynamics simulations with electron microscopy computer simulations and experimental results to provide an insight into the structure of amorphous mesoporous silica nanoparticles. The amorphous silica model is prepared using a simple melt‐quench molecular dynamics method, while the reconstruction of the mesoporous nanoparticles is carried out using a methodology to avoid false symmetry in the final model. Simulated scanning transmission electron microscopy images are compared with experimental images, revealing the existence of structural domains, created by the misalignment of the pores to compensate the surface tension of these spherical nanoparticles.     

Analysis of bioenergy production at different levels of integration in energy-driven biorefineries

In this paper, a techno-economic and environmental assessment is performed to compare the stand-alone process and biorefinery ways to produce biodiesel, ethanol and butanol as potential cases for bioenergy production using fresh fruit bunches as raw material. Different levels of integration are considered (e.g., mass and energy integration, non-conventional technologies) along with the analysis of the process scale to determine the economic profitability and environmental impacts of the proposed cases. The results demonstrated that the biodiesel production based on the biorefinery concept has a positive effect on the profitability of the stand-alone process at different scales. The economic results were compared with data reported in the literature. Furthermore, the life cycle analysis of the proposed cases suggested that the deployment of the biorefinery concept at different levels of integration in the oil palm supply chain reduced the environmental impact of the biodiesel production, which was selected as the hotspot of the evaluated cases.     

The "Heart Area" of Juan Canalejo Hospital Complex. A new approach to clinical management

The present work describes the process by which the pilot project of clinical management of the Hospital Complex Juan Canalejo, designated as "Heart Area", was implemented. In the first section, the needs and reasons that led to the undertaking of this project are explained. The project's objectives and operative strategies are listed. In the Material and Methods section, three basic aspects of the "Heart Area" are described: selection criteria of the "Area", its structure and function, and its foundation and development. In the Results section, we compare the activity undertaken in the "Area" to the situation present prior to its implementation, in relation to quality and costs. Finally, in the Conclusions, we comment on the important implications that our project can have within the Hospital Complex Juan Canalejo as well as in the health care field in general.     

Robust metric calibration of non-linear camera lens distortion

Camera lens distortion is crucial to obtain the best performance cameral model. Up to now, different techniques exist, which try to minimize the calibration error using different lens distortion models or computing them in different ways. Some compute lens distortion camera parameters in the camera calibration process together with the intrinsic and extrinsic ones. Others isolate the lens distortion calibration without using any template and basing the calibration on the deformation in the image of some features of the objects in the scene, like straight lines or circles. These lens distortion techniques which do not use any calibration template can be unstable if a complete camera lens distortion model is computed. They are named non-metric calibration or self-calibration methods.Traditionally a camera has been always best calibrated if metric calibration is done instead of self-calibration. This paper proposes a metric calibration technique which computes the camera lens distortion isolated from the camera calibration process under stable conditions, independently of the computed lens distortion model or the number of parameters. To make it easier to resolve, this metric technique uses the same calibration template that will be used afterwards for the calibration process. Therefore, the best performance of the camera lens distortion calibration process is achieved, which is transferred directly to the camera calibration process.     

Automatic metro map layout using multicriteria optimization

This paper describes an automatic mechanism for drawing metro maps. We apply multicriteria optimization to find effective placement of stations with a good line layout and to label the map unambiguously. A number of metrics are defined, which are used in a weighted sum to find a fitness value for a layout of the map. A hill climbing optimizer is used to reduce the fitness value, and find improved map layouts. To avoid local minima, we apply clustering techniques to the map-the hill climber moves both stations and clusters when finding improved layouts. We show the method applied to a number of metro maps, and describe an empirical study that provides some quantitative evidence that automatically-drawn metro maps can help users to find routes more efficiently than either published maps or undistorted maps. Moreover, we have found that, in these cases, study subjects indicate a preference for automatically-drawn maps over the alternatives.     

Topological spines: a structure-preserving visual representation of scalar fields

We present topological spines--a new visual representation that preserves the topological and geometric structure of a scalar field. This representation encodes the spatial relationships of the extrema of a scalar field together with the local volume and nesting structure of the surrounding contours. Unlike other topological representations, such as contour trees, our approach preserves the local geometric structure of the scalar field, including structural cycles that are useful for exposing symmetries in the data. To obtain this representation, we describe a novel mechanism based on the extraction of extremum graphs--sparse subsets of the Morse-Smale complex that retain the important structural information without the clutter and occlusion problems that arise from visualizing the entire complex directly. Extremum graphs form a natural multiresolution structure that allows the user to suppress noise and enhance topological features via the specification of a persistence range. Applications of our approach include the visualization of 3D scalar fields without occlusion artifacts, and the exploratory analysis of high-dimensional functions.     

Multiway Spectral Clustering with Out-of-Sample Extensions through Weighted Kernel PCA

A new formulation for multiway spectral clustering is proposed. This method corresponds to a weighted kernel principal component analysis (PCA) approach based on primal-dual least-squares support vector machine (LS-SVM) formulations. The formulation allows the extension to out-of-sample points. In this way, the proposed clustering model can be trained, validated, and tested. The clustering information is contained on the eigendecomposition of a modified similarity matrix derived from the data. This eigenvalue problem corresponds to the dual solution of a primal optimization problem formulated in a high-dimensional feature space. A model selection criterion called the Balanced Line Fit (BLF) is also proposed. This criterion is based on the out-of-sample extension and exploits the structure of the eigenvectors and the corresponding projections when the clusters are well formed. The BLF criterion can be used to obtain clustering parameters in a learning framework. Experimental results with difficult toy problems and image segmentation show improved performance in terms of generalization to new samples and computation times.     

Post-processing and visualization techniques in 2D boundary element analysis

Most post-processors for boundary element (BE) analysis use an auxiliary domain mesh to display domain results, working against the profitable modelling process of a pure boundary discretization. This paper introduces a novel visualization technique which preserves the basic properties of the boundary element methods. The proposed algorithm does not require any domain discretization and is based on the direct and automatic identification of isolines. Another critical aspect of the visualization of domain results in BE analysis is the effort required to evaluate results in interior points. In order to tackle this issue, the present article also provides a comparison between the performance of two different BE formulations (conventional and hybrid). In addition, this paper presents an overview of the most common post-processing and visualization techniques in BE analysis, such as the classical algorithms of scan line and the interpolation over a domain discretization. The results presented herein show that the proposed algorithm offers a very high performance compared with other visualization procedures.