ICAMS / Interdisciplinary Centre for Advanced Materials Simulation

Phase-field Simulations of Microstructures

Dr. Oleg Shchyglo

The research group focuses on the development of new methods for phase-field simulations of microstructures in complex materials. At present, the range of applications for phase-field modelling includes solidification, grain growth, eutectic and peritectic reactions, recrystallization, and martensitic transformations. If one wants to make quantitative predictions of the microstructure formation in these processes by using the phase-field method, it is important to start from the reliable free energy functional. This requires access to the free energy contributions related to chemical composition, elasticity parameters and plastic laws for the materials under study. While the composition-temperature dependence of the free energy is widely available in databases, the free energy contribution from elasticity and plasticity data is not easily available. Our goal is not only to provide the reliable simulation platform for the phase-field simulations, but also to provide the free energy contributions which are at present omitted in the thermodynamic databases. In collaboration with the Computational Thermodynamics/CALPHAD group, we develop the free energy model, which incorporates not only the chemical degrees of freedom but also include the stress dependence of the free energy. Such a free energy functional is a key ingredient for the study of the bainite and martensite formations in steel which are among our primary objectives.

The group is actively developing an open source phase field simulation library “OpenPhase” which is closely related to our scientific projects.

Simulated martensite microstructure of carbon steel: (a) complete martensite microstructure (b) single martensite packet and (c) martensite blocks.

Visit the OpenPhase website

Group Members



  • Phase-field modeling
  • Phase transformations
  • Microscopic elasticity theory
  • OpenPhase” library development

Recent publications

J. Kundin, A. Ramazani, U. Prahl, C. Haase. Phase-field modeling of microstructure evolution of binary and multicomponent alloys during selective laser melting (SLM) TMS 2019 148th Annual Meeting & Exhibition Supplemental Proceedings, -, -, (2019)

J. V. Görler. Phase-field simulation of microstructure evolution coupled to plastic deformation: Application to Ni-base superalloys and low carbon steel PhD Thesis, Ruhr-Universität Bochum (2018)

M. Markl, A. Müller, N. Ritter, M. Hofmeister et al. Development of single-crystal Ni-base superalloys based on multi-criteria numerical optimization and efficient use of refractory elements Metallurgical and Materials Transactions A, 49, 4134-4145, (2018)

B. Ruttert, O. Horst, I. Lopez-Galilea, D. Langenkämper et al. Rejuvenation of single-crystal Ni-base superalloy turbine blades: Unlimited service life? Metallurgical and Materials Transactions A, 49, 4262–4273, (2018)

H. Sohaib. The study of the effect of porosity on the grain growth in polycrystalline ceramic fibers Master Thesis, Ruhr-Universität Bochum (2018)


Dr. Oleg Shchyglo
Ruhr-Universität Bochum
44780 Bochum
Tel. +49 234 32 26761
Fax +49 234 32 14989

Email: oleg.shchyglo@rub.de