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

In recent years, nanostructuring of dielectric and semiconducting crystalshas enhanced controllability of their thermal conductivity. To carry outcomputational material search for nanostructured materials with desirablethermal conductivity, a key property is the thermal conductivity spectrum ofthe original single crystal, which determines the appropriate length scale ofnanostructures and mutual adaptability of different kinds of nanostructures.Although the first-principles phonon transport calculations have becomeaccessible, the anharmonic lattice dynamics calculations are still heavy toscan many materials. To this end, we have developed an empirical model thatdescribes the thermal conductivity spectrum in terms only of harmonic phononproperties and bulk thermal conductivity. The model was tested for severalcrystals with different structures and thermal conductivities, and wasconfirmed to reproduce the overall profiles of thermal conductivity spectra andtheir anharmonic calculations.

Thermal conductivity spectrum calculation from first-principles-based harmonic phonon theory