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/

Zendy Plus

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

Zendy Tools

Zendy Open

The term “ MAX  phase” refers to a very interesting and important class of layered ternary transition‐metal carbides and nitrides with a novel combination of both metal and ceramic‐like properties that have made these materials highly regarded candidates for numerous technological and engineering applications. Using (  Cr   2   Hf  ) 2   Al   3   C   3  as an example, we demonstrate the possibility of incorporating more types of elements into a  MAX  phase while maintaining the crystallinity, instead of creating solid solution phases. The crystal structure and elastic properties of MAX phase‐like (  Cr   2   Hf  ) 2   Al   3   C   3  are studied using the Vienna  ab initio  Simulation Package. Unlike  MAX  phases with a hexagonal symmetry ( P 6 3 / mmc , #194), (Cr 2 Hf) 2 Al 3 C 3  crystallizes in the monoclinic space group of  P 2 1 / m  (#11) with lattice parameters of  a  = 5.1739 Å,  b  =   5.1974 Å,  c  =   12.8019 Å; α = β = 90°, γ = 119.8509°. Its structure is found to be energetically much more favorable with an energy (per formula unit) of −102.11 eV, significantly lower than those of the allotropic segregation (−100.05 eV) and solid solution (−100.13 eV) phases. Calculations using a stress versus strain approach and the  VRH  approximation for polycrystals also show that (  Cr   2   Hf  ) 2   Al   3   C   3  has outstanding elastic moduli.

Crystal Structure and Elastic Properties of Hypothesized MAX Phase‐Like Compound ( Cr 2 Hf ) 2 Al 3 C 3