English (United Kingdom)

https://curated-unify.zendy.io/wp-json/zendy-region/v1/featured_content/oa?rat=en

https://curated-unify.zendy.io/wp-json/zendy-region/v1/highlighted_journal/

Global: Zendy Tools annual

Presents the keyphrase highlighting as premium feature

Keyphrase Highlighting

Presents the summarisation as premium feature

Summarisation

Insights

Presents the pdf analysis as premium feature

PDF Analysis

Presents the zaia usage as premium feature

ZAIA

Global: Zendy Tools monthly

Global: Zendy Plus monthly

Presents the access of premium content as premium feature

Premium Content

Global: Zendy Plus annual

Global: Zendy Free Plan

Among all the freezing transitions, that of water into ice is probably themost relevant to biology, physics, geology or atmospheric science. In this workwe investigate homogeneous ice nucleation by means of computer simulations. Weevaluate the size of the critical cluster and the nucleation rate fortemperatures ranging between 15K and 35K below melting. We use the TIP4P/2005and the TIP4P/Ice water models. Both give similar results when compared at thesame temperature difference with the model's melting temperature. The size ofthe critical cluster varies from $\sim$8000 molecules (radius$ = 4$nm) at 15Kbelow melting to $\sim$600 molecules (radius$ = 1.7$nm) at 35K below melting.We use Classical Nucleation Theory (CNT) to estimate the ice-water interfacialfree energy and the nucleation free energy barrier. We obtain an interfacialfree energy of 29(3)mN/m from an extrapolation of our results to the meltingtemperature. This value is in good agreement both with experimentalmeasurements and with previous estimates from computer simulations ofTIP4P-like models. Moreover, we obtain estimates of the nucleation rate fromsimulations of the critical cluster at the barrier top. The values we get forboth models agree within statistical error with experimental measurements. Attemperatures higher than 20K below melting we get nucleation rates slower thanthe appearance of a critical cluster in all the water of the hydrosphere in theage of the universe. Therefore, our simulations predict that water freezingabove this temperature must necessarily be heterogeneous.

Homogeneous ice nucleation at moderate supercooling from molecular simulation