178,268 research outputs found

    IMP Science Gateway: from the Portal to the Hub of Virtual Experimental Labs in Materials Science

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    "Science gateway" (SG) ideology means a user-friendly intuitive interface between scientists (or scientific communities) and different software components + various distributed computing infrastructures (DCIs) (like grids, clouds, clusters), where researchers can focus on their scientific goals and less on peculiarities of software/DCI. "IMP Science Gateway Portal" (http://scigate.imp.kiev.ua) for complex workflow management and integration of distributed computing resources (like clusters, service grids, desktop grids, clouds) is presented. It is created on the basis of WS-PGRADE and gUSE technologies, where WS-PGRADE is designed for science workflow operation and gUSE - for smooth integration of available resources for parallel and distributed computing in various heterogeneous distributed computing infrastructures (DCI). The typical scientific workflows with possible scenarios of its preparation and usage are presented. Several typical use cases for these science applications (scientific workflows) are considered for molecular dynamics (MD) simulations of complex behavior of various nanostructures (nanoindentation of graphene layers, defect system relaxation in metal nanocrystals, thermal stability of boron nitride nanotubes, etc.). The user experience is analyzed in the context of its practical applications for MD simulations in materials science, physics and nanotechnologies with available heterogeneous DCIs. In conclusion, the "science gateway" approach - workflow manager (like WS-PGRADE) + DCI resources manager (like gUSE)- gives opportunity to use the SG portal (like "IMP Science Gateway Portal") in a very promising way, namely, as a hub of various virtual experimental labs (different software components + various requirements to resources) in the context of its practical MD applications in materials science, physics, chemistry, biology, and nanotechnologies.Comment: 6 pages, 5 figures, 3 tables; 6th International Workshop on Science Gateways, IWSG-2014 (Dublin, Ireland, 3-5 June, 2014). arXiv admin note: substantial text overlap with arXiv:1404.545

    A Process to Implement an Artificial Neural Network and Association Rules Techniques to Improve Asset Performance and Energy Efficiency

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    In this paper, we address the problem of asset performance monitoring, with the intention of both detecting any potential reliability problem and predicting any loss of energy consumption e ciency. This is an important concern for many industries and utilities with very intensive capitalization in very long-lasting assets. To overcome this problem, in this paper we propose an approach to combine an Artificial Neural Network (ANN) with Data Mining (DM) tools, specifically with Association Rule (AR) Mining. The combination of these two techniques can now be done using software which can handle large volumes of data (big data), but the process still needs to ensure that the required amount of data will be available during the assets’ life cycle and that its quality is acceptable. The combination of these two techniques in the proposed sequence di ers from previous works found in the literature, giving researchers new options to face the problem. Practical implementation of the proposed approach may lead to novel predictive maintenance models (emerging predictive analytics) that may detect with unprecedented precision any asset’s lack of performance and help manage assets’ O&M accordingly. The approach is illustrated using specific examples where asset performance monitoring is rather complex under normal operational conditions.Ministerio de Economía y Competitividad DPI2015-70842-

    An evolutionary complex systems decision-support tool for the management of operations

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    Purpose - The purpose of this is to add both to the development of complex systems thinking in the subject area of operations and production management and to the limited number of applications of computational models and simulations from the science of complex systems. The latter potentially offer helpful decision-support tools for operations and production managers. Design/methodology/approach - A mechanical engineering firm was used as a case study where a combined qualitative and quantitative methodological approach was employed to extract the required data from four senior managers. Company performance measures as well as firm technologies, practices and policies, and their relation and interaction with one another, were elicited. The data were subjected to an evolutionary complex systems (ECS) model resulting in a series of simulations. Findings - The findings highlighted the effects of the diversity in management decision making on the firm's evolutionary trajectory. The CEO appeared to have the most balanced view of the firm, closely followed by the marketing and research and development managers. The manufacturing manager's responses led to the most extreme evolutionary trajectory where the integrity of the entire firm came into question particularly when considering how employees were utilised. Research limitations/implications - By drawing directly from the opinions and views of managers, rather than from logical "if-then" rules and averaged mathematical representations of agents that characterise agent-based and other self-organisational models, this work builds on previous applications by capturing a micro-level description of diversity that has been problematical both in theory and application. Practical implications - This approach can be used as a decision-support tool for operations and other managers providing a forum with which to explore: the strengths, weaknesses and consequences of different decision-making capacities within the firm; the introduction of new manufacturing technologies, practices and policies; and the different evolutionary trajectories that a firm can take. Originality/value - With the inclusion of "micro-diversity", ECS modelling moves beyond the self-organisational models that populate the literature but has not as yet produced a great many practical simulation results. This work is a step in that direction

    Adapting precision farming principles to organic crop production

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    Precision farming is a discipline that aims to increase efficiency in the management of agriculture throughout new technologies. Organic crop production systems in the future need to combine satisfactory productivity with long term sustainability. The aim of this paper is to present potentials and limits using precision farming priciples in organic crop productio
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