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

The binary Kob-Andersen (KA) Lennard-Jones mixture is the standard model forcomputational studies of viscous liquids and the glass transition. For verylong simulations the viscous KA system crystallizes, however, by phaseseparating into a pure A particle phase forming an FCC crystal. We present thethermodynamic phase diagram for KA-type mixtures consisting of up to 50\% small(B) particles showing, in particular, that the melting temperature of thestandard KA system at liquid density $1.2$ is $1.028(3)$ in A particleLennard-Jones units. At large B particle concentrations the system crystallizesinto the CsCl crystal structure. The eutectic corresponding to the FCC and CsClstructures is cut-off in a narrow interval of B particle concentrations around26\% at which the bipyramidal orthorhombic ${\rm PuBr_3}$ structure is thethermodynamically stable phase. The melting temperature's variation with Bparticle concentration at two other pressures, as well as at the constantdensity $1.2$, is estimated from the simulations at pressure $10.19$ usingisomorph theory. Our data demonstrate approximate identity between the meltingtemperature and the onset temperature below which viscous dynamics appears.Finally, the nature of the solid-liquid interface is briefly discussed.

Phase diagram of Kob-Andersen type binary Lennard-Jones mixtures