Melting of 55-atom Morse clusters

P Shah, S Roy, C Chakravarty - The Journal of chemical physics, 2003 - pubs.aip.org
… ies of the cluster solid–liquid transition in 55-atom Morse clusters with range parameter
values of 4, 5, 6, 9, 12, and 13. All the systems studied here show a melting transition in terms of …

[PS][PS] The structure, thermodynamics and dynamics of atomic clusters

JPK Doye - 1996 - www-wales.ch.cam.ac.uk
… The melting of clusters is associated with a transition from … by examining clusters of atoms
bound by the Morse potential. … The vertex atoms of the 55-atom Mackay icosahedron become …

Structure of 55-atom bimetallic clusters

M Zhang, R Fournier - Journal of Molecular Structure: THEOCHEM, 2006 - Elsevier
Morse parameters D i , R i , a i to each atom i based on how many neighbours (n i ) it has.
We describe the i−j interaction by a Morse … we found that our clusters have a melting point of …

Orbital-free molecular dynamics study of melting in and clusters

A Aguado - Physical Review B, 2001 - APS
melting temperatures decrease by percentage values of 10%, 7%, and 3%, respectively,34
while for the 55-atom clusters … on the heat capacity of 13atom Morse clusters. They found that …

Thermodynamics of small clusters of atoms: A molecular dynamics simulation

WD Kristensen, EJ Jensen, RMJ Cotterill - The Journal of Chemical …, 1974 - pubs.aip.org
… for Lennard-Jones and Morse pair interactions. … melting and increase in premelting with
decreasing cluster size is strong enough to obscure the transition effectively. The 55-atom cluster

The effect of the range of the potential on the structures of clusters

JPK Doye, DJ Wales, RS Berry - The Journal of chemical physics, 1995 - pubs.aip.org
… We investigate the structures of clusters bound by the Morse … As the 55-atom cluster is a
magic number species for various … in the variation of the cluster melting temperature.The highly …

Statistics and stability of small assemblies of atoms

MR Hoare, P Pal - Journal of Crystal Growth, 1972 - Elsevier
55-atom icosahedra. Numerical results are presented for vibrational heat-capacity, entropy
and free-energy for a variety ofargon clusters … From the standpoint of con- both LJ and Morse

The effect of the range of the potential on the structure and stability of simple liquids: from clusters to bulk, from sodium to

JPK Doye, DJ Wales - Journal of Physics B: Atomic, Molecular …, 1996 - iopscience.iop.org
… the thermodynamic properties of a 55-atom cluster (section 5) … (We denote an N-atom Morse
cluster by MN .) These results … In the melting region these clusters fluctuate between a solid-…

Rearrangements of 55atom Lennard‐Jones and (C60)55 clusters

DJ Wales - The Journal of chemical physics, 1994 - pubs.aip.org
… From previous work on the potential energy surfaces of clusters bound by a Morse potential
… 8 for both clusters calculated from trajectories of 2.5X 106 steps. As expected; the melting

Calculation of thermodynamic properties of small Lennard‐Jones clusters incorporating anharmonicity

JPK Doye, DJ Wales - The Journal of chemical physics, 1995 - pubs.aip.org
… to incorporate anharmonicity using Morse correction terms to … for 13-atom and 55-atom
Lennard-Jones clusters. © 1995 … in elucidating the melting of small Lennard-Jones clusters was …