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

We propose a model describing the interatomic interaction at the interfacebetween fullerene $\mathrm{C}_{60}$ and aluminum. Using the density functionaltheory, we calculate the binding energy and the fullerene's position on the$\mathrm{Al}(111)$ slab. The obtained data are applied to estimate theparameters of the Lennard-Jones potential for carbon and aluminum atoms, whichis then used in molecular dynamics simulations. The results of the theoreticalstudy of desorption of fullerenes from an aluminum substrate are in goodagreement with those of the experiments from the literature. We alsoinvestigate the capillary effects in an aluminum melt with submergedfullerenes. The positive interface surface energy indicates the poorwettability of $\mathrm{C}_{60}$ by the melt. The calculated value of thediffusion relaxation time is approximately two orders of magnitude less thanthe characteristic coagulation time of fullerenes. The activation character ofthe coagulation process and the capillary nature of the interaction betweenfullerenes are discussed.

Interatomic interaction at the aluminum-fullerene $\mathrm{C}_{60}$ interface