Realistic microstructure evolution of complex Ta-Nb-Hf-Zr high-entropy alloys by simulation techniques.

ABSTRACT: Over last 15 years high-entropy alloys (HEAs) and complex concentrated alloys (CCAs) have gained much appreciation for their numerous superior properties. In this paper we have shown a novel simulation methodology to realistically predict the nanometer level local structural features of complex Ta_0.25Nb_0.25Hf_0.25Zr_0.25 HEA. This involves prediction of the morphology of the short-range clustering (SRCs), their quantitative atomic composition at the nano level and the thermodynamic aspects. An alloy structure model containing 11664 atoms was created and this was subjected to structure evolution at 1800 °C. The structure evolution technique is based on a combined hybrid Monte Carlo and molecular dynamics (MC/MD) approach. The simulated results from

SUBMITTER: Mishra S 

PROVIDER: S-EPMC6841691 | biostudies-literature | 2019 Nov

REPOSITORIES: biostudies-literature