ICAMS / Interdisciplinary Centre for Advanced Materials Simulation


Thermodynamic modeling as a link between basic and applied science

Date: 19.01.2015
Time: 02:45 pm
Place: Indian Institute of Technology, Madras, India

Suzana Fries

Humanity is accumulating knowledge since some thousand years but the increment of is so huge nowadays that even in one generation, paradigms can change. What was just a theoretical beauty as the density functional theory some years ago is transformed into a day-by-day tool to develop alloys. Materials transformations that were rationalized with the use of cartoons can be, now a days, observed in situ with the help of synchrotron radiation and spatially resolved X-Ray diffraction.

Although the better comprehension and characterization of materials a link between the different approaches is still required in order to use the new information in an optimized mode that keeps the development sustainable. The old established metallurgical way that was able to produce so much transformations in the last centuries kept an overview of many factors that many times were not documented or even not understood. The thermodynamics created by Gibbs was able to manage some of this knowledge in the past century describing and anticipate equilibrium between phases and its transformations with temperature pressure and composition.

The same thermodynamics is still valid to make that amalgam of the new experimentally acquired data and theoretical methods and transfer that knowledge to be used in other scales simulation of turbine blades made with superalloys.

In this talk some details of this route will be given pointing out pitfalls and successful experience related to steels and superalloys.

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