- Gibbs energy modelling of materials
- Applications of density functional theory in materials science
- Modelling of diffusion controlled phase transformations
- Applications of thermodynamics in process metallurgy

Hari Kumar K.C
Professor
Dec 2002 – Jan 2004: Visiting Faculty
Jan 2004 – Jun 2013: Associate Professor
Jul 2013 – till date: Professor
Selected Journal Publications
- Balakrishnan S., Ananthasivan K. and Hari Kumar K.C.; Studies on the synthesis of nanocrystalline yttria powder by oxalate deagglomeration and its sintering; Ceram. Int. 41 (2015) 5270-5280.
- Santhy K. and Hari Kumar K.C.; Thermodynamic reassessment of Nb-Ni-Ti system with order-disorder model; J. Alloys. Compd. 619 (2015) 733-747.
- Rajkumar V.B. and Hari Kumar K.C; Gibbs energy modelling of Fe-Ta system by Calphad method assisted by experiments and initio calculations; Calphad 48 (2015) 157-165.
- Ghosh S., Prabhakara Reddy B., Nagarajan K. and Hari Kumar K.C.; Experimental investigations and thermodynamic modelling of KCl-LiCl- UCl system; Calphad 45 (2014) 11-26. 3
- Sai Gautam G. and Hari Kumar K.C.; Elastic, thermochemical and thermophysical properties of rock salt-type transition metal carbides and nitrides: a first principles study; J. Alloys. Compd. 587 (2014) 380-386.
- Balakrishnan S., Ananthasivan K. and Hari Kumar K.C.; Studies on the synthesis and sintering of nanocrystalline yttria; Ceram. Inter. 10 (2014) 6777-6785.
- Virdi K.S. and Hari Kumar K.C.; First-principle investigation of lithium intercalation behaviour of a (3,3) carbon nanotube; Mater. Sci. Forum 736 (2013) 27-31.
- Srinivas Prasad B.S., Rajkumar V.B. and Hari Kumar K.C.; Numerical simulation of precipitate evolution in ferritic-martensitic power plant steels; Calphad 36 (2012) 1-7.
Research Projects
- Integrated modelling of high temperature phase and microstructural stability and phase transformation kinetics of advanced high chromium ferritic steels with special emphasis on 9Cr-1Mo based derivatives, IITMIGCAR cell.
- Precipitation behaviour in thin slab caster (TSCR) to develop conventional grain oriented (CGO) electrical steels, Tata Steel, Jamshedpur.
- Thermodynamic prediction of phase stability of high temperature alloys for USC applications, BHEL, Hyderabad.
- Calculation of thermodynamic properties of R phase in Fe-Mo, Fe-Mo-Cr and Co-Mo-Cr alloy systems, Carpenter Technology, USA.
- Establishing a procedure for validating and optimising thermodynamic database for common engineering alloys, GE Global Research Centre, Bangalore.
Awards & Recognitions
- Associate Editor, Calphad Journal, Elsevier.
- Key Reader, Metallurgical & Materials Transactions A, Springer.
