4.8 Article

Unavoidable disorder and entropy in multi-component systems

Journal

NPJ COMPUTATIONAL MATERIALS
Volume 5, Issue -, Pages -

Publisher

SPRINGERNATURE
DOI: 10.1038/s41524-019-0206-z

Keywords

-

Funding

  1. DOD-ONR [N00014-15-1-2863, N00014-16-1-2326, N00014-17-1-2876]

Ask authors/readers for more resources

The need for improved functionalities is driving the search for more complicated multi-component materials. Despite the factorially increasing composition space, ordered compounds with four or more species are rare. Here, we unveil the competition between the gain in enthalpy and entropy with increasing number of species by statistical analysis of the AFLOW data repositories. A threshold in the number of species is found where entropy gain exceeds enthalpy gain. Beyond that, enthalpy can be neglected, and disorder-complete or partial-is unavoidable.

Authors

I am an author on this paper
Click your name to claim this paper and add it to your profile.

Reviews

Primary Rating

4.8
Not enough ratings

Secondary Ratings

Novelty
-
Significance
-
Scientific rigor
-
Rate this paper

Recommended

No Data Available
No Data Available