ICAMS / Interdisciplinary Centre for Advanced Materials Simulation


Ab initio simulation of diffusion and segregation of alloying elements in the γ/γ’-microstructure of superalloys

Date: 09.02.2017
Place: SFB/TR103, Grainau, Germany

Maximilian Grabowski
Yanyan Liang
Jutta Rogal
Ralf Drautz

The scientific objective of our project is the ab initio description of fundamental diffusion processes and segregation behavior of alloying elements within the γ/γ’-microstructure of Ni- and Co-base alloys. This includes the calculation of diffusion coefficients and investigation of specific diffusion mechanisms as well as the development of methods to comprehensively treat the complex interplay of diffusion, chemical composition and strain accumulation within these systems.

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