RT info:eu-repo/semantics/article
T1 Atomic layering and related postmelting effects in small liquid metal clusters
A1 Nuñez, Sara
A1 López Rodríguez, José Manuel
A1 Aguado Rodríguez, Andrés
K1 Dinámica molecular
K1 Física nuclear
AB The specific heat of Na_25, as obtained by first-principles molecular dynamics simulations, shows interestinganomalies above the melting phase-change region:  a)  It steadily decreases with increasing temperature, aneffect observed also in bulk liquid metals. This trend is explained in terms of the gradual conversion ofvibrational modes into diffusion modes;  b)  on top of this decreasing trend, the specific heat shows broadundulations, induced by the temperature-dependent atomic layering in the liquid cluster. Extended liquid metalsurfaces also show atomic layering, but it does not affect the bulk heat capacity. This effect is therefore genuineof finite atomic systems and should be expected to be quite general in metal clusters.
PB The American Physical Society
YR 2009
FD 2009
LK http://uvadoc.uva.es/handle/10324/2529
UL http://uvadoc.uva.es/handle/10324/2529
LA eng
NO Physical Review B, v. 79, n. 16, (2009), p. 1-4
NO Producción Científica
DS UVaDOC
RD 25-nov-2024