Framework for fast simulations of material science phenomena with Cahn-Hilliard equations

Grzegorz Gurgul¹, Maciej Paszyński¹, Danuta Szeliga², Vladimir Puzyrev³

¹Department of Computer Science, Faculty of Electronics, Telecommunication and Computer Science, AGH University of Science and Technology, al. Mickiewicza 30, 30-059 Kraków Poland.

²Department of Applied Computer Science and Modelling, Faculty of Metals Engineering and Industrial Computer Science, AGH University of Science and Technology, al. Mickiewicza 30, 30-059 Kraków, Poland.

³Department of Applied Geology, Curtin University, Kent Street, Bentley, Perth, WA 6102, Australia.

DOI:

https://doi.org/10.7494/cmms.2019.1.0626

Abstract:

This paper presents the framework for executing Cahn-Hilliard simulations through a web interface which is based on a popular continuous integration tool called Jenkins. This setup allows launching computations from any machine, in the client mode, and without the need to sustain a connection to the computational environment. It also isolates the researcher from the complexity of the underlying infrastructure and reduces the number of steps necessary to perform the simulations. Moreover, the results of the computations are automatically post-processed and stored upon job completion for future retrieval in the form of raw data, a sequence of bitmaps, as well as a video sequence illustrating changes in the material structure over time. The Cahn-Hilliard equations are parameterized with mobility and chemical potential function, allowing for several numerical applications. The discretization is performed with Isogeometric finite element method, and it is parameterized with the number of time steps, the time step size, the mesh size, and the order of the B-spline basis functions using for the approximation of the solution. The interface is linked with the alternating direction semi-implicit solver, resulting in a linear computational cost of the simulation.

Cite as:

Gurgul, G., Paszyński, M., Szeliga, D., & Puzyrev, V. (2019). Framework for fast simulations of material science phenomena with Cahn-Hilliard equations. Computer Methods in Materials Science, 19(1), 12-20. https://doi.org/10.7494/cmms.2019.1.0626

Article (PDF):

Keywords:

Cahn-Hilliard equations, Material science simulations, Interface

References:

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