A novel analysis of final walkers distributions from quantum Diffusion Monte Carlo calculations is presented for the smaller 4 He clusters containing Li+ , Na+ and K+ . The results are shown to provide a clear pictorial view of electrostriction effects leading to the formation of solid-like snowballs that can be surrounded by a liquid-like environment of additional solvent atoms. Transitions from one nanophase to the other are clearly shown by the stochastic results as a function of cluster size and of the chemical nature of the specific dopant ion.
Nanoscopic phase changes in doped 4He droplets / Coccia, Emanuele; Bodo, Enrico; Gianturco, Francesco Antonio. - In: EUROPHYSICS LETTERS. - ISSN 0295-5075. - 82:(2008), pp. 23001-6-23001-6. [10.1209/0295-5075/82/23001]
Nanoscopic phase changes in doped 4He droplets
COCCIA, EMANUELE;BODO, Enrico;GIANTURCO, Francesco Antonio
2008
Abstract
A novel analysis of final walkers distributions from quantum Diffusion Monte Carlo calculations is presented for the smaller 4 He clusters containing Li+ , Na+ and K+ . The results are shown to provide a clear pictorial view of electrostriction effects leading to the formation of solid-like snowballs that can be surrounded by a liquid-like environment of additional solvent atoms. Transitions from one nanophase to the other are clearly shown by the stochastic results as a function of cluster size and of the chemical nature of the specific dopant ion.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.
