Disorder as the discovery enabler for transition-metal mixed-anion materials
Abstract
The method we propose for discovering new entropy-stabilized transition-metals mixed-anion materials is technically very complicated", but the fundamental ideas are simple to grasp by following the workows. The statistical analysis of the AFLOW.org repositories has" shown that the rate of change of expected enthalpy per atom as function of number of species decreases with increasing number of sp"ecies. Concurrently, the entropic component of the Gibbs free energy, increases monotonically. Eventually there will be a threshold" which becomes larger than for a working temperature. In an ideal scenario where we obtain a threshold of using AFLOW.org data. This" implies that to look for novel materials containing more than 4 species, one can neglect the formation enthalpy as a first approxim""ation, and focus on searching for solutions having the maximum possible entropy, the maximum possible latent heat for solidification""/quenching, or maximum possible endothermicity in solid state reactions.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Sep 29, 2017
- Source ID
- N000141712876
Entities
People
- Cormac Toher
Organizations
- Duke University
- Office of Naval Research
- United States Navy