Combining simulation and experimental data via surrogate modelling of continuum dislocation dynamics simulations

Abstract

Several computational models have been introduced in recent years to yield comprehensive insights into microstructural evolution analyses. However, the identification of the correct input parameters to a simulation that corresponds to a certain experimental result is a major challenge on this length scale. To complement simulation results with experimental data (and vice versa) is not trivial since, e.g., simulation model parameters might lack a physical understanding or uncertainties in the experimental data are neglected. Computational costs are another challenge mesoscale models always have to face, so comprehensive parameter studies can be costly. In this paper, we introduce a surrogate model to circumvent continuum dislocation dynamics simulation by a data-driven linkage between well-defined input parameters and output data and vice versa. We present meaningful results for a forward surrogate formulation that predicts simulation output based on the input parameter space, as well as for the inverse approach that derives the input parameter space based on simulation as well as experimental output quantities. This enables, e.g., a direct derivation of the input parameter space of a continuum dislocation dynamics simulation based on experimentally provided stress-strain data.