A. Vichare et Dg. Kanhere, DENSITY-BASED MOLECULAR-DYNAMICS STUDY OF MELTING IN A FINITE-SIZED CLUSTER - AL-13, Journal of physics. Condensed matter, 10(15), 1998, pp. 3309-3320
Ab initio molecular dynamical simulations have been performed to inves
tigate the phenomenon of melting in a finite-size system, namely an Al
-13 cluster. Classical molecular dynamical simulations using Lennard-J
ones potentials have shown that a coexistence region, where both solid
-like and liquid-like behaviour is observed, exists over a range of to
tal energy. Our density functional simulations on a metallic cluster a
im at probing this coexistence region. Although our statistics is some
what limited, we do find definite signatures of a coexistence region.