GI Systems for public health with an ontology based approach

Dissertation submitted in partial fulfillment of the requirements for the Degree of Master of Science in Geospatial Technologies.Health is an indispensable attribute of human life. In modern age, utilizing technologies for health is one of the emergent concepts in several applied fields. Computer science, (geographic) information systems are some of the interdisciplinary fields which motivates this thesis. Inspiring idea of the study is originated from a rhetorical disease DbHd: Database Hugging Disorder, defined by Hans Rosling at World Bank Open Data speech in May 2010. The cure of this disease can be offered as linked open data, which contains ontologies for health science, diseases, genes, drugs, GEO species etc. LOD-Linked Open Data provides the systematic application of information by publishing and connecting structured data on the Web. In the context of this study we aimed to reduce boundaries between semantic web and geo web. For this reason a use case data is studied from Valencia CSISP- Research Center of Public Health in which the mortality rates for particular diseases are represented spatio-temporally. Use case data is divided into three conceptual domains (health, spatial, statistical), enhanced with semantic relations and descriptions by following Linked Data Principles. Finally in order to convey complex health-related information, we offer an infrastructure integrating geo web and semantic web. Based on the established outcome, user access methods are introduced and future researches/studies are outlined

Molecular Dynamics Simulation in Arbitrary Geometries for Nanoscale Fluid Mechanics

Simulations of nanoscale systems where fluid mechanics plays an important role are required to help design and understand nano-devices and biological systems. A simulation method which hybridises molecular dynamics (MD) and continuum computational fluid dynamics (CFD) is demonstrated to be able to accurately represent the relevant physical phenomena and be computationally tractable. An MD code has been written to perform MD simulations in systems where the geometry is described by a mesh of unstructured arbitrary polyhedral cells that have been spatially decomposed into irregular portions for parallel processing. The MD code that has been developed may be used for simulations on its own, or may serve as the MD component of a hybrid method. The code has been implemented using OpenFOAM, an open source C++ CFD toolbox (www.openfoam.org). Two key enabling components are described in detail. 1) Parallel generation of initial configurations of molecules in arbitrary geometries. 2) Calculation of intermolecular pair forces, including between molecules that lie on mesh portions assigned to different, and possibly non-neighbouring processors. To calculate intermolecular forces, the spatial relationship of mesh cells is calculated once at the start of the simulation and only the molecules contained in cells that have part of their surface closer than a cut-off distance are required to interact. Interprocessor force calculations are carried out by creating local copies of molecules from other processors in a layer around the processor in question. The process of creating these copied molecules is described in detail. A case study of flow in a realistic nanoscale mixing channel, where the geometry is drawn and meshed using engineering CAD tools, is simulated to demonstrate the capabilities of the code for complex simulations

Proceedings of the XIXth TELEMAC-MASCARET User Conference 2012, 18 to 19 October 2012, St Hugh's College, Oxford

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