Thermodynamic modelling of the quaternary systems Fe-Cr-Mo-C and Ni-Nb-Si-C

• Grant number: 09/14532-9
• Support Opportunities: Scholarships in Brazil - Doctorate
• Start date: January 01, 2010
• End date: March 31, 2012
• Field of knowledge: Engineering - Materials and Metallurgical Engineering - Physical Metallurgy
• Principal Investigator: Claudio Geraldo Schon
• Grantee: Luiz Tadeu Fernandes Eleno
• Host Institution: Escola Politécnica (EP). Universidade de São Paulo (USP). São Paulo , SP, Brazil

Abstract

The aim of this project is the combination of advanced experimental and theoretical approaches for the development of thermodynamic databases dedicated to modeling steels and high performance alloys. Examples of materials are centrifugalliy cast superalloys designed for use in reforming and pyrolisis furnaces, as well as intermetallic-reinforced tool steels. The theoretical methods are the combination of electronic structure calculations and thermodynamic modeling at finite temperatures using the CALPHAD method. This methodology has been used by different scientific groups, both in Brazil and around the world. We will use experimental data recently obtained by our group in systems Fe-Mo-Cr-V and Nb-Ni-Si-C together with other experimental results and ab-initio calculations, obtained from the literature or acquired during the present project, to improve the thermodynamic descriptions for these systems as contained in the existing thermodynamic databases, minimizing inconsistencies relative to stability fields and phase equilibria. (AU)

Scientific publications

(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)

DOS SANTOS, VINICIUS O.; PETRILLI, HELENA M.; SCHOEN, CLAUDIO G.; ELENO, LUIZ T. F.. Thermodynamic modelling of the Nb-Ni-Si phase diagram based on the 1073 K isothermal section using ab initio calculations. CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, v. 51, p. 57-66, DEC 2015. (09/14532-9, 12/04023-2)

ELENO, LUIZ T. F.; SCHOEN, CLAUDIO G.. Ternary Interaction Parameters in Calphad Solution Models. Brazilian Journal of Physics, v. 44, n. 2-3, p. 208-214, JUN 2014. (09/14532-9, 12/04023-2)

Academic Publications

(References retrieved automatically from State of São Paulo Research Institutions)

ELENO, Luiz Tadeu Fernandes. Experimental and ab initio data in the CALPHAD method: the Fe-Cr-Mo-C and Nb-Ni-Si systems.. 2012. Doctoral Thesis - Universidade de São Paulo (USP). Escola Politécnica (EP/BC) São Paulo.