Content:

Scale Bridging Thermodynamic and Kinetic Simulations

Prof. Dr. Ingo Steinbach

Phase transformations are phenomena of general importance and play a significant role in all areas of materials processing. They determine the microstructure of materials and control their macroscopic properties. The research activities in the department focus on the mesoscopic scale of heterogeneous multiphase microstructures. We apply different theoretical methods to investigate the constitutive laws controlling microstructure evolution during various stages of materials processing, ranging from solidification to solid-state transformations during thermal processing.

 

3D grain structures in nano materials.
3D grain structures in nano materials.
(click on image 15,5MB)

In a scale-bridging approach we incorporate first principles calculations of phase stability and transport coefficients and analyze our results with respect to macroscopic properties of condensed matter. Among numerical techniques applied within our department are first-principles methods for phase-stabilities, the CALPHAD method (CALculation of PHAse Diagrams) to calculate phase-stability, the phase-field method to describe phase transformations and microstructure evolution in crystalline materials. Last, but not least, the Lattice-Boltzmann method is applied to solve surface tension driven flow.

STKS group photo, January 2013.


Structure
The department’s activities are grouped in three areas being focused on different techniques and scales.
Computational Thermodynamics/CALPHAD
(Dr. Suzana G. Fries)
Phase-field Simulations of Microstructures
(Dr. Oleg Shchyglo)
Theory and Simulation of Complex Fluids
(PD Dr. Fathollah Varnik)

Student Projects

A list of research projects currently offered in the department of Scale Bridging Thermodynamic and Kinetic Simulations (Prof. Steinbach) can be found here.

 

See also for this department: Members, Projects, Publications