skip to main content

SciTech ConnectSciTech Connect

Title: Sodium dopants in helium clusters: Structure, equilibrium and submersion kinetics

Alkali impurities bind to helium nanodroplets very differently depending on their size and charge state, large neutral or charged dopants being wetted by the droplet whereas small neutral impurities prefer to reside aside. Using various computational modeling tools such as quantum Monte Carlo and path-integral molecular dynamics simulations, we have revisited some aspects of the physical chemistry of helium droplets interacting with sodium impurities, including the onset of snowball formation in presence of many-body polarization forces, the transition from non-wetted to wetted behavior in larger sodium clusters, and the kinetics of submersion of small dopants after sudden ionization.
Authors:
 [1]
  1. Laboratoire Interdisciplinaire de Physique, Rue de La Piscine, Campus Saint Martin d’Hères, 38000 Grenoble (France)
Publication Date:
OSTI Identifier:
22499118
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Conference Proceedings; Journal Volume: 1702; Journal Issue: 1; Conference: ICCMSE 2015: International conference of computational methods in sciences and engineering 2015, Athens (Greece), 20-23 Mar 2015; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; 36 MATERIALS SCIENCE; CHARGE STATES; COMPUTERIZED SIMULATION; DOPED MATERIALS; DROPLETS; EQUILIBRIUM; HELIUM; IMPURITIES; KINETICS; MANY-BODY PROBLEM; MOLECULAR DYNAMICS METHOD; MONTE CARLO METHOD; PATH INTEGRALS; PHYSICAL CHEMISTRY; POLARIZATION; SODIUM