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Lecture

WEB Towards Interoperability of Simulation Platforms

Tuesday (22.09.2020)
16:25 - 16:40 M: Modelling and Simulation 2
Part of:


The simulation of material properties is integral part of modern materials development and an increasing number of simulation codes nowadays is available. Simulation codes can be categorized according to their underlying models into electronic/atomistic/mesoscopic (“e/a/m”) and continuum codes [12]. Continuum codes can further be subdivided into models describing the thermo-mechanics of components (as typically used in FEM type simulations) and continuum models describing the evolution of materials, their microstructure and their properties.


Simulation codes typically implement models providing approximations of the reality and their prediction space thus is limited. The predictive capabilities can however be improved by combining a variety of models or respective software tools. Such a modular combination of simulation codes is then orchestrated as a simulation workflow and performed on a simulation platform. First workflows in the area of continuum models of microstructure evolution comprising tools like MICRESS [2], HOMAT [11], DAMASK [15] and Dream.3D [5] have successfully been demonstrated recently on the AixViPMaP [10] platform. The AixViPMaP platform will be further complemented by thermodynamic models like Thermo-Calc [1] and by models for effective properties [16,17] within an overall ontological framework provided by EMMO [4].


Besides the AixViPMaP platform focusing on materials microstructures, a number of simulation platforms has emerged in recent years aiming for e/a/m models such as AiiDA [14] or for various other objectives and target groups such as MpCCI [18], MuPIF [13], pyiron [8] SymPhoNy [6] or MaterialDigital [3]. All these simulation platforms, however, share the basic concept of providing a framework enabling a modular and configurable use of simulation codes. Experts implement plug-ins for specific simulation codes, which can then be operated by the user using an API or GUI like e.g. Jupyter Notebook [9] without detailed knowledge of the technical implementation. Recent research efforts aim at a meta-platform [7], which is supposed to support the interaction and interoperability of different simulation platforms. The lecture provides an overview of current efforts towards such a meta-platform using first interactions of the AixViPMaP with SymPhoNy and pyiron as a guiding example.

 

Speaker:
Additional Authors:
  • Dr. Georg J. Schmitz
    ACCESS e.V.