The Sutton-Chen type of force fields was derived for osmium and ruthenium using the Finnis-Sinclair form of embedded
atom model. The newly derived force fields were used to calculate the compressibility (or bulk modulus) and melting
points of Osmium and Ruthenium. The theoretical bulk modulus calculated for osmium was 428 GPa and this falls within
the experimental data range (395 GPa – 462 GPa) that have been reported for osmium. The experimental bulk modulus for
ruthenium is 321 GPa, while the theoretical bulk modulus obtained with the derived force fields was 322 GPa – giving a
difference of only 0.3%. The trends in the results of the newly derived force fields and those in existence for other platinum
group metals was similar, indicating that the derived force fields would be suitable and reliable for modeling the
mechanical properties of osmium, ruthenium and their related phases.
Key words: Osmium, Ruthenium, Force Fields, Molecular Dynamics
PAPER TITLE :SUTTON-CHEN TYPE FORCE FIELDS FOR OSMIUM AND RUTHENIUM
FUTA JOURNAL OF RESEARCH IN SCIENCE | VOLUME 10 NUMBER 1 2014
Paper Details
- Author(s) : A.I. Popoola* and I.A. Fuwape
- Abstract:
