High-entropy high-hardness metal carbides discovered by entropy descriptors.

ABSTRACT: High-entropy materials have attracted considerable interest due to the combination of useful properties and promising applications. Predicting their formation remains the major hindrance to the discovery of new systems. Here we propose a descriptor-entropy forming ability-for addressing synthesizability from first principles. The formalism, based on the energy distribution spectrum of randomized calculations, captures the accessibility of equally-sampled states near the ground state and quantifies configurational disorder capable of stabilizing high-entropy homogeneous phases. The methodology is applied to disordered refractory 5-metal carbides-promising candidates for high-hardness applications. The descriptor correctly predicts the ease with which compositions can be experimentally synth

SUBMITTER: Sarker P 

PROVIDER: S-EPMC6255778 | biostudies-literature | 2018 Nov

REPOSITORIES: biostudies-literature