Quantum dynamics of the pick up process of atoms by superfluid helium nanodroplets: the Ne + ( 4 He) 1000 system

• Published in: Physical chemistry chemical physics : PCCP 2016, Vol.18 (3), p.2006-2014
• Main Authors: Vilà, Arnau, González, Miguel, Mayol, Ricardo
• Format: Article
• Language: English
• ISSN: 1463-9076; 1463-9084
• DOI: 10.1039/C5CP04176G

The capture dynamics of a Ne atom by a superfluid helium nanodroplet (( 4 He) N=1000 ; T = 0.37 K), Ne + ( 4 He) N → Ne@( 4 He) N′ , was investigated using a quantum approach (TDDFT (helium) + quantum wave packet (Ne)) at zero angular momentum and a rather wide range of Ne atom initial mean velocities (〈 v 0 〉: 90–1300 m s −1 ). This is probably the first quantum dynamics study focusing on the pick up process and the evolution of the dopant inside the nanodroplet and the second more detailed investigation on this topic. For 〈 v 0 〉 = 210 m s −1 and above the atom is always captured, but for lower velocities the probability of capture is somewhat below the unity and decreases as 〈 v 0 〉 diminishes. The main energy exchange begins with the collision of the atom with the nanodroplet surface, and the excess of energy placed in the doped nanodroplet is progressively released by the evaporation of a small amount of 4 He atoms. Once the atom has entered into the nanodroplet its mean position follows an oscillatory trajectory, due to multiple sequential collisions with the inner surface of the nanodroplet, and its mean velocity reaches values which are below Landau's critical velocity. This probably corresponds to the general behavior of nanodroplets with a bulk-like region when moderate collision energies ( i.e. , similar to the ones considered here) are involved. In the future we hope to investigate the influence of angular momentum on the mechanism of the pick up process, using the same quantum dynamics method.