RT info:eu-repo/semantics/article
T1 Anomalous Size Dependence in the Melting Temperatures of Free Sodium Clusters: An Explanation for the Calorimetry Experiments
A1 López Rodríguez, José Manuel
A1 Aguado Rodríguez, Andrés
K1 Calorímetros y calorimetría
AB The meltinglike transition in unsupported NaN clusters (N=55, 92, 147, 181, 189, 215, 249, 271, 281 and 299) is studied by first-principles isokinetic molecular dynamics simulations. The irregular size dependence of the melting temperatures Tm observed in the calorimetry experiments of Schmidt et al. [ Nature (London) 393 238 (1998)] is quantitatively reproduced. We demonstrate that structural effects alone can explain all broad features of experimental observations. Specifically, maxima in Tm(N) correlate with high surface stability and with structural features such as a high compactness degree.
PB The American Physical Society
YR 2005
FD 2005
LK http://uvadoc.uva.es/handle/10324/2445
UL http://uvadoc.uva.es/handle/10324/2445
LA eng
NO Physical Review Letters, vol.   94, n. 23   (2005), p. 1-4
NO Producción Científica
DS UVaDOC
RD 27-dic-2024