Seetharaman S | Author | SciTechnol | Research and Reports on Me

Seetharaman S Author

ritakhanna@unsw.edu.au 61-2-9385 5589 | 61-2-9385 55

Subjects of specialization
Interatomi,Phase transformation,Disorde

Affiliation
Department of Materials Science and Engineering, Royal Institute of Technology, SE-100 44 Stockholm, Sweden

Biography

Associate Professor, Centre for Sustainable Materials Research and Technology, School of Materials Science and Engineering, The University of New South Wales, NSW 2052, Sydney, Australia Interatomic; Potentials; Iron; Monte Carlo Simulations; Phase transformation; Melting; Disorder Department of Materials Science and Engineering, Royal Institute of Technology, SE-100 44 Stockholm, Sweden

Publications

Research Article Open Access

Atomistic Monte Carlo Simulations on the Melting Transition of Iron at Ambient Pressure

Author(s):

Khanna R, Sahajwalla V and Seetharaman S

Atomistic computer simulations are playing an increasingly important role in high temperature processes, bridging the gap between theory and experiment, and taking cutting edge research into unchartered territories. A fundamental understanding of the melting behaviour of BCC iron is of great significance in steelmaking operations. We report Monte Carlo simulations on the melting transition of iron using three well known interaction potentials, namely the Rosato potential, the Mendelev potential and the Sutton-Chen potential. Depending on the potential used, the interactions between iron atoms varied from 1/r², as well as 1/r^8.14 at short distances, and the range of applicability was found to vary from 3.5 Å to 9.5 Å. These a... view more»

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