A distributed multiscale computation of a tightly coupled model using the Multiscale Modeling Language

AbstractNature is observed at all scales; with multiscale modeling, scientists bring together several scales for a holistic analysis of a phenomenon. The models on these different scales may require significant but also heterogeneous computational resources, creating the need for distributed multiscale computing. A particularly demanding type of multiscale models, tightly coupled, brings with it a number of theoretical and practical issues. In this contribution, a tightly coupled model of in-stent restenosis is first theoretically examined for its multiscale merits using the Multiscale Modeling Language (MML); this is aided by a toolchain consisting of MAPPER Memory (MaMe), the Multiscale Application Designer (MAD), and Gridspace Experiment Workbench. It is implemented and executed with the general Multiscale Coupling Library and Environment (MUSCLE). Finally, it is scheduled amongst heterogeneous infrastructures using the QCG-Broker. This marks the first occasion that a tightly coupled application uses distributed multiscale computing in such a general way

Support for multiscale simulations with molecular dynamics

We present a reusable solution that supports users in combining single-scale models to create a multiscale application. Our approach applies several multiscale programming tools to allow users to compose multiscale applications using a graphical interface, and provides an easy way to execute these multiscale applications on international production infrastructures. Our solution extends the general purpose scripting approach of the GridSpace platform with simple mechanisms for accessing production resources, provided by the Application Hosting Environment (AHE). We apply our support solution to construct and execute a multiscale simulation of clay-polymer nanocomposite materials, and showcase its benefit in reducing the effort required to do a number of time-intensive user tasks. © 2013 The Authors. Published by Elsevier B.V

Selected contemporary in-situ methods of soil and groundwater remediation

The article presents an analysis of selected methods of remediation of land and groundwater, performed on the site in the ground (ie. in-situ) or on the treated plot, as alternatives to soil excavation treating, of ten many kilometers outside the investments (ex-situ). The choice of the appropriate method depends on the geological and environmental conditions, the type and the volume of pollutant concentrations and the planned development of the land. Remediation methods are designed to reduce the negative impact of hazardous substances on the environment and on human health, who may be exposed to the pollution

Remediation of groundwater environment polluted with chlorinated organic compounds using in-situ methods

The article discusses purification of groundwater contaminated with chlorinated solvents including tetrachlorethane (PCE) and trichloroethene (TCE), using reactive barriers and in situ injection. For the dehalogenation of complex chlorinated hydrocarbons, a reagent consisting of zero-value controlled iron and nutrient-stimulating bio-degradable substances was used in the remediation works. The effectiveness of remediation ofsoil and water contaminated with TCE and PCE depends on the degree ofunderstanding of the processes that pollutants undergo. The combination of three methods made it possible to reduce pollution in groundwater by 80%. The Regulation on the Register of Historic Land Pollution, introduced in September 2016, paves the way for restoring contaminated land to its initial quality with the remediation processes, but does not answer the question of how to assess the quality of water in the context of the proposed remediation work