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Conference object . 2013 . Peer-reviewed
Data sources: SNSF P3 Database
https://doi.org/10.1063/1.4803...
Article . 2013 . Peer-reviewed
Data sources: Crossref
https://dx.doi.org/10.5167/uzh...
Other literature type . 2013
Data sources: Datacite
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Large scale MD simulations of nucleation

Authors: Diemand Juerg; Angelil Raymond; Tanaka Kyoko K.; Tanaka Hidekazu;

Large scale MD simulations of nucleation

Abstract

We present preliminary results from large scale molecular dynamics (MD) simulations of homogenous vapor to liquid nucleation. The simulations contain between one and eight billion Lennard-Jones atoms and were run for up to 56 million time-steps. The large particle numbers (over 104 times larger than previous simulations, see e.g. [2]) have several advantages: i) Resolving and quantifying nucleation at low supersaturations becomes possible within an accessible number of simulation time-steps, in spite of the very slow nucleation. ii) Even after forming many stable droplets the depletion of the vapor phase is negligible, i.e. the supersaturation remains constant during the simulations. iii) Excellent statistics on liquid droplet abundances and microscopic properties over a wide range in droplet sizes. iv) Simulations can be run efficiently on a large number of cpus. First, direct comparisons to laboratory experiments[6] are now possible: we find excellent agreement in the nucleation rates at kT = 0.3e and s...

Country
Switzerland
Keywords

530 Physics, 10231 Department of Astrophysics, 3100 General Physics and Astronomy

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
0
Average
Average
Average
Green