  We present a force-biased Monte Carlo (FMC) method for structural modeling of
transition metal clusters of Fe, Ni, and Cu with 5 to 60 atoms. By employing
the Finnis-Sinclair potential for Fe and the Sutton-Chen potential for Ni and
Cu, the total energy of the clusters is minimized using a method that utilizes
atomic forces in Monte Carlo simulations. The structural configurations of the
clusters obtained from this biased Monte Carlo approach are analyzed and
compared with the same from the Cambridge Cluster Database (CCD). The results
show that the total-energy of the FMC clusters is very close to the
corresponding value of the CCD clusters as listed in the Cambridge Cluster
Database. A comparison of the FMC and CCD clusters is presented by computing
the pair-correlation function, the bond-angle distribution, and the
distribution of atomic-coordination numbers in the first-coordination shell,
which provide information about the two-body and three-body correlation
functions, the local atomic structure, and the bonding environment of the atoms
in the clusters.
