Tuning phase-stability and short-range order through Al-doping in (CoCrFeMn)100-xAlx high entropy alloys (1803.06771v3)

Abstract: For (CoCrFeMn)${100-x}$Al${x}$ high-entropy alloys, we investigate the phase evolution with increasing Al-content (0 $\le$ x $\le$ 20 at.%). From first-principles theory, the Al-doping drives the alloy structurally from FCC to BCC separated by a narrow two-phase region (FCC+BCC), which is well supported by our experiments. We highlight the effect of Al-doping on the formation enthalpy and electronic structure of (CoCrFeMn)${100-x}$Al${x}$ alloys. As chemical short-range order (SRO) in multicomponent alloys indicates the nascent local order (and entropy changes), as well as expected low-temperature ordering behavior, we use thermodynamic linear-response within density-functional theory to predict SRO and ordering transformation and temperatures inherent in (CoCrFeMn)${100-x}$Al${x}$. The predictions agree with our present experimental findings, and other reported ones.