Published May 15, 2013 | Version v1
Journal article

Water nanodroplet impacts on surfaces: Effect of the substrate nature

  • 1. Institute of Condensed Matter and Nanosciences, Université catholique de Louvain, 1 Croix du Sud, B-1348 Louvain-la-Neuve (Belgium)
  • 2. Department of Chemistry, Penn State University, University Park, PA 16802 (United States)

Description

The impact of 1–5 km/s (H2O)n nanodroplets on flat surfaces, with normal or oblique incidence (60°), is modeled using molecular dynamics simulations. The focus is placed on the effect of the substrate, one of the targets being a rigid atomic layer with a repulsive interaction to the droplet, while the other one is a polar surface modeled by three layers of NaCl. In our simulations at 60° incidence, the velocity limit for droplet fragmentation is between 1.5 and 3 km/s for both substrates. However, the dynamics and the energetics of the interaction are very dependent on the substrate nature. While ⩽2 km/s droplets glide on the repulsive substrate, keeping most of their translational energy, they stick and stop on the polar substrate, transforming their energy into heat. The influence of the substrate is also pronounced for velocities above the fragmentation threshold, with much higher internal energies and more extensive fragmentation observed for the polar substrate. The results are mainly discussed on the basis of the particle distributions and energy partitions obtained upon interaction. In conclusion, our simulations demonstrate that the nature of the substrate cannot be overlooked in such impact processes

Availability note (English)

Available from http://dx.doi.org/10.1016/j.nimb.2012.10.029

Additional details

Identifiers

DOI
10.1016/j.nimb.2012.10.029;
PII
S0168-583X(12)00666-0;

Publishing Information

Journal Title
Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms
Journal Volume
303
Journal Page Range
p. 179-183
ISSN
0168-583X
CODEN
NIMBEU

Conference

Title
11. conference on computer simulation of radiation effects in solids (COSIRES)
Dates
24-29 Jul 2012
Place
Santa Fe, NM (United States)

INIS

Country of Publication
Netherlands
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
45065117
Subject category
S77: NANOSCIENCE AND NANOTECHNOLOGY;
Resource subtype / Literary indicator
Conference
Descriptors DEI
DROPLETS; FRAGMENTATION; INTERACTIONS; LAYERS; MOLECULAR DYNAMICS METHOD; SIMULATION; SODIUM CHLORIDES; SUBSTRATES; SURFACES; WATER
Descriptors DEC
ALKALI METAL COMPOUNDS; CALCULATION METHODS; CHLORIDES; CHLORINE COMPOUNDS; HALIDES; HALOGEN COMPOUNDS; HYDROGEN COMPOUNDS; OXYGEN COMPOUNDS; PARTICLES; SODIUM COMPOUNDS; SODIUM HALIDES

Optional Information

Copyright
Copyright (c) 2012 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.