Title: The advanced use of Calphad databases and methods in computational thermodynamics

Abstract

Development of new materials is a challenging task which involves not only selecting the final properties but also the whole processing route. Experimental verification is very important but very expensive and to limit the cost and time for the development one regularly uses computer simulations for many steps. For equilibrium calculations the Calphad method provides facilities to calculate phase diagrams but also many other kinds of diagrams providing phase amounts, chemical potentials and heat capacities at varying temperature and compositions. But a very important feature of the assessed Calphad thermodynamic databases is that they provide information about phase amounts, chemical potentials etc also for the metastable states during phase transformations. Combined with Phase Field Methods or other kinetic models the use of validated and assessed thermodynamic databases is essential.

Biography

Bo Sundman is professor emeritus at the Computational Thermodynamics (CT) division in the Materials Science and Engineering (MSE) department of KTH, Royal Institute of Technology in Stockholm, Sweden. He graduated as a master in physics engineering at KTH in 1974, got a PhD in physical metallurgy in 1981, become lecturer at KTH in 1986, assistant professor in 1994 and professor in 2000. After 2006 he has been fully or partially on leave to work in France and other countries. From 2006 to 2009 he was at CIRIMAT at Paul Sabatier University in Toulouse and from 2009 at INSTN, CEA Saclay and together with Dr Constantin Meis arranged a annual summer school on the use of thermodynamic calculations. He retired in 2012 but continued to work part time at INSTN and at the Central South University in Changsha, China. He published more than 180 papers and have more than 13000 citations (in 2020). He received the Calphad ”Triangle” Award 2002, the Hume-Rothery Award 2005 from IOM3 in UK, a Humboldt senior researcher award from Germany in 2012 and the NIMS Award in Japan 2017. Together with Dr Leo Lukas and Dr Suzana G Fries He written a book ”Computational Thermodynamics, the Calphad Method” published by Cambridge University press in 2007.