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  • 1
    Description: This paper describes a massively parallel algebraic multigrid method based on non-smoothed aggregation. It is especially suited for solving heterogeneous elliptic problems as it uses a greedy heuristic algorithm for the aggregation that detects changes in the coefficients and prevents aggregation across them. Using decoupled aggregation on each process with data agglomeration onto fewer processes on the coarse level, it weakly scales well in terms of both total time to solution and time per iteration to nearly 300,000 cores. Because of simple piecewise constant interpolation between the levels, its memory consumption is low and allows solving problems with more than 100,000,000,000 degrees of freedom. Comment: 22 pages, 1 figure
    Keywords: Mathematics - Numerical Analysis ; Computer Science - Distributed, Parallel, And Cluster Computing ; Computer Science - Mathematical Software ; Computer Science - Numerical Analysis ; 65f08, 65n08, 65n55, 65y05 ; F.2.1 ; G.1.3 ; G.1.8 ; G.4
    Source: Cornell University
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  • 2
    In: Computational Geosciences, 17(1), 139-149 (2013)
    Description: Carbon Capture and Storage (CCS) is a recently discussed new technology, aimed at allowing an ongoing use of fossil fuels while preventing the produced CO2 to be released to the atmosphere. CSS can be modeled with two components (water and CO2) in two phases (liquid and CO2). To simulate the process, a multiphase flow equation with equilibrium phase exchange is used. One of the big problems arising in two-phase two-component flow simulations is the disappearance of the nonwetting phase, which leads to a degeneration of the equations satisfied by the saturation. A standard choice of primary variables, which is the pressure of one phase and the saturation of the other phase, cannot be applied here. We developed a new approach using the pressure of the nonwetting phase and the capillary pressure as primary variables. One important advantage of this approach is the fact that we have only one set of primary variables that can be used for the biphasic as well as the monophasic case. We implemented this new choice of primary variables in the DUNE simulation framework and present numerical results for some test cases. Comment: 11 pages, 11 figures, accepted for publication in Computational Geosciences
    Keywords: Physics - Computational Physics ; 76s05, 35q86
    Source: Cornell University
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  • 3
    Description: A model for the aerobic and anaerobic growth of Escherichia coli (HB101 K12 pGLO) depending on the concentration of oxygen and DOC as substrate has been developed based on laboratory batch experiments. Using inverse modelling to obtain optimal sets of parameters, it could be shown that a model based on a modified double Contois kinetic can predict cell densities, organic carbon utilisation, oxygen transfer and utilisation rates for a large number of experiments under aerobic and anaerobic conditions with a single unique set of parameters. The model was extended to describe growth of E. coli in unsaturated porous media, combining diffusion, phase exchange and microbiological growth. Experiments in a Hele-Shaw cell, filled with quartz sand, were conducted to study bacterial growth in the capillary fringe above a saturated porous medium. Cell density profiles in the Hele-Shaw cell were predicted with the growth model and the parameters from the batch experiments without any further calibration. They showed a very good qualitative and quantitative agreement with cell densities determined from samples taken from the Hele-Shaw cell by re-suspension and subsequent counting. Thus it could be shown, that it is possible to successfully transfer growth parameters from batch experiments to porous media for both aerobic and anaerobic conditions. Comment: Minor changes in conclusions, results unchanged
    Keywords: Quantitative Biology - Cell Behavior
    Source: Cornell University
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  • 4
    Description: A multicomponent multiphase reactive transport simulator has been developed to facilitate the investigation of a large variety of phenomena in porous media including component transport, diffusion, microbiological growth and decay, cell attachment and detachment and phase exchange. The coupled problem is solved using operator splitting. This approach allows a flexible adaptation of the solution strategy to the concrete problem. Moreover, the individual submodels were optimised to be able to describe behaviour of Escherichia coli (HB101 K12 pGLO) in the capillary fringe in the presence or absence of dissolved organic carbon and oxygen under steady-state and flow conditions. Steady-state and flow through experiments in a Hele-Shaw cell, filled with quartz sand, were conducted to study eutrophic bacterial growth and transport in both saturated and unsaturated porous media. As E. coli cells can form the green fluorescent protein (GFP), the cell densities, calculated by evaluation of measured fluorescence intensities (in situ detection) were compared with the cell densities computed by numerical simulation. The comparison showed the laboratory experiments can be well described by our mathematical model.
    Keywords: Computer Science - Computational Engineering, Finance, And Science ; Physics - Biological Physics
    Source: Cornell University
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  • 5
    Description: In the Exa-Dune project we have developed, implemented and optimised numerical algorithms and software for the scalable solution of partial differential equations (PDEs) on future exascale systems exhibiting a heterogeneous massively parallel architecture. In order to cope with the increased probability...
    Keywords: Computer Science - Mathematical Software ; Mathematics - Numerical Analysis
    Source: Cornell University
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