Literature DB >> 25956082

Communication: Nucleation of water on ice nanograins: Size, charge, and quantum effects.

Mathieu Marciante1, Florent Calvo1.   

Abstract

The sticking cross sections of water molecules on cold size-selected water clusters have been simulated using classical and quantum (path-integral) molecular dynamics trajectories under realistic conditions. The integrated cross sections for charged clusters show significant size effects with comparable trends as in experiments, as well as essentially no sign effect. Vibrational delocalization, although it contributes to enlarging the geometric cross sections, leads to a counter-intuitive decrease in the dynamical cross section obtained from the trajectories. These results are interpreted based on the apparent reduction in the effective interaction between the projectile and the target owing to zero-point effects.

Entities:  

Year:  2015        PMID: 25956082     DOI: 10.1063/1.4919665

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  1 in total

1.  Producing desired ice faces.

Authors:  Mary Jane Shultz; Alexandra Brumberg; Patrick J Bisson; Ryan Shultz
Journal:  Proc Natl Acad Sci U S A       Date:  2015-10-28       Impact factor: 11.205

  1 in total

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