… 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 …
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 …
… melting temperatures decrease by percentage values of 10%, 7%, and 3%, respectively,34 while for the 55-atomclusters … on the heat capacity of 13atom Morseclusters. They found that …
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-atomcluster …
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-atomcluster is a magic number species for various … in the variation of the clustermelting temperature.The highly …
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 …
JPK Doye, DJ Wales - Journal of Physics B: Atomic, Molecular …, 1996 - iopscience.iop.org
… the thermodynamic properties of a 55-atomcluster (section 5) … (We denote an N-atom Morse cluster by MN .) These results … In the melting region these clusters fluctuate between a solid-…
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 …