ICAMS / Interdisciplinary Centre for Advanced Materials Simulation


The thermodynamics of high temperature materials supported by DFT calculations

Date: 25.08.2016
Place: Special Seminar at the School of Computing, Science and Engineering, Salford, UK

Suzana Fries

The development of the new co-based superalloys is taking profit of a knowledge based tools which were not available when Ni-based alloys were developed. The combination of DFT and recent development in experimental techniques related to alloy characterization makes multicomponent Gibbs energies modelling quite more refined, improving , as never was possible before, the construction of multiphase databases with true predictive capabilities. In this lecture this methodology is illustrated.

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