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 Tools annual

Global: Zendy Free Plan

Global: Zendy Tools monthly

Global: Zendy Plus monthly

We report an ab initio molecular dynamics simulation study of several staticand dynamic properties of the liquid 3d transition metals. The calculatedstatic structure factors show qualitative agreement with the availableexperimental data, and its second peak displays an asymmetric shape whichsuggests a significant local icosahedral short-range order. The dynamicalstructure reveals propagating density fluctuations whose dispersion relationhas been evaluated; moreover, its long wavelength limit is compatible withtheir respective experimental sound velocity. Results are reported for thelongitudinal and transverse current spectral functions as well as for therespective dispersion relations. We also analyze the possible appearance oftransverse-like low-energy excitations in the calculated dynamic structurefactors. Several transport coefficients have been evaluated and compared withthe available experimental data.

First principles determination of some static and dynamic properties of the liquid 3$d$ transition metals near melting