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 Plus annual

Presents the access of premium content as premium feature

Premium Content

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 Plus monthly

Global: Zendy Tools annual

Global: Zendy Tools monthly

Global: Zendy Free Plan

Employing first principles parallel tempering molecular dynamics in themicrocanonical ensemble, we report the presence of a clear solid-liquid-likemelting transition in Al20+ clusters, not found in experiments. The phasetransition temperature obtained from the multiple histogram method is 993 K, 60K above the melting point of aluminium. Root mean squared bond lengthfluctuation, the velocity auto-correlation function and the corresponding powerspectrum further confirm the phase transition from a solid-like to liquid-likephase. Atoms-In-Molecules analysis shows a strong charge segregation betweenthe internal and surface atoms, with negatively charged internal atoms andpositive charge at the surface. Analysis of the calculated diffusioncoefficient indicates different mobilities of the internal and surface atoms inthe solid-like phase, and the differences between the environment of theinternal atoms in these clusters with that of the bulk atoms suggest a physicalpicture for the origin of greater-than-bulk melting temperatures.

Al20+ does melt, albeit above the bulk melting temperature of aluminium