Parallel Models

Motivation

The advent of large-scale parallel computers has enabled the simulation of physical systems that were previously impossible due to their intrinsic high complexity or large size. For historical reasons, the development of simulation models in materials science for the prediction of microstructure evolution was confined to the realization of serial algorithms. With the utilization of parallel architecture, it can become possible to perform real-time through-process simulations with the evident economic advantage for industrial processes.

Research focus

The objective of the parallel models research group is to develop simulation models of microstructure evolution suited for parallel architectures. For this purpose, it is necessary to perform a paradigm shift in order to fully utilize the potential of such computational systems. This involves a re-conception of the models to account for higher complexity and larger size of the simulated physical systems. We focus on physical phenomena that cause a relevant change of the microstructure such as plastic deformation, recrystallization and grain growth but also investigate by means of large-scale simulations fundamental processes such as phase transformations and grain boundary motion.

Methods
  • MPI-, OpenMP- and Hybrid-parallelization
  • Large-scale and solitary model simulations
  • Level-set methods
  • Network models
  • Cellular automaton
  • Phase-field model
  • Large-scale molecular dynamics
Publications
  • Mießen, C., Liesenjohann, M., Barrales-Mora, L. A., Shvindlerman, L. S., Gottstein, G., An advanced level set approach to grain growth – Accounting for grain boundary anisotropy and finite triple junction mobility, in: Acta Materialia 99 (2015), 39–48.
  • Kühbach, M., Barrales-Mora, L. A., Gottstein, G.: A massively parallel cellular automaton for the simulation of recrystallization, in: Modelling and Simulation in Materials Science and Engineering 22 (2014), Art. 07501.
  • Brandenburg, J.-E., Barrales-Mora, L. A., Molodov, D. A., On migration and faceting of low-angle grain boundaries: Experimental and computational study, in: Acta Materialia 77 (2014), 294-309.
  • Brandenburg, J.-E., Barrales-Mora, L. A., Molodov, D. A., Gottstein, G., Effect of inclination dependence of grain boundary energy on the mobility of tilt and non-tilt low-angle grain boundaries, in: Scripta Materialia 68 (2013), 980-983.
  • Witte, M., Belde, M., Barrales-Mora, L. A., de Boer, N., Gilges, S., Klöwer, J., Gottstein, G., Abnormal grain growth in Ni-5at.%W, in: Philosophical Magazine 92 (2012), 4398-4407.
  • Barrales-Mora, L. A., Gottstein, G., Shvindlerman, L. S., Effect of finite boundary junction mobility on the growth rate of grains in 3D polycrystals, in: Philosophical Magazine 92 (2012), 1046-1057.
  • Barrales-Mora, L. A., Gottstein, G., Shvindlerman, L. S., Effect of a finite boundary junction mobility on the growth rate of grains in two-dimensional polycrystals, in: Acta Materialia 60 (2012), 546-555.
  • Barrales-Mora, L. A., Brandenburg, J.-E., Molodov, D. A., Impact of grain boundary character on grain rotation, in: Acta Materialia 80 (2014), 141-148.
  • Barrales-Mora, L. A., Gottstein, G., Shvindlerman, L. S., Three-dimensional grain growth: Analytical approaches and computer simulations, in: Acta Materialia 56 (2008), 5915-5926.