Detail

Simulated microstructures of gamma' precipitates in cobalt-based superalloys

Jokisaari, Andrea M.; Naghavi, Shahab; Wolverton, Chris; Voorhees, Peter W.; Heinonen, Olle G.

Contact

Andrea M. Jokisaari Olle G. Heinonen

Description

This data set is that generated by the authors to create the publication below for the study on the equilibrium shapes of gamma' precipitates in novel Co-based superalloys. Please see the paper for details: A. M. Jokisaari, S. S. Naghavi, C. Wolverton, P. W. Voorhees, O. G. Heinonen, Predicting the morphologies of gamma prime precipitates in cobalt-based superalloys, submitted as a preprint to arXiv and accepted to Acta Materialia. Please contact O. G. Heinonen ([email protected]) or A. M. Jokisaari ([email protected]) with questions, etc. The mesh data may be visualized with Paraview. There are three main directories: 1) phase field code, which contains the .h and .C files for the MOOSE-based phase field simulations. 2) phase field data, which contains the outputs of the phase field simulations. 3) DFT data, which contains the data used for the DFT portion of the work. Each phase field data set contains the solutions (meshes) in .e files, postprocessor data in a .csv file, and the input in a .i file. The phase field data was generated by a MOOSE-based application, including the phase_field module (see http://mooseframework.org). To run this code, you will need to generate your own MOOSE-based application, add the code to the appropriate directories and register the new code in the src/base/MyApp.C file (see http://mooseframework.com/wiki/MooseSystems/Kernels/ for an example). Because this code is in the Materials Data Facility, it is not being kept up-to-date - you may need to update it for API changes within MOOSE or the phase_field module.