Predicting short-range order evolution in WTaCrVHf refractory high-entropy alloys

SCRIPTA MATERIALIA(2023)

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摘要
Short-range order (SRO) in multicomponent concentrated alloys affects their mechanical response. Hence, is paramount to understand how composition modifies the chemical ordering in the system to design materials with optimal properties. We present here a methodology to predict the SRO and thermodynamic properties in chemically complex systems and apply it to the WTaCrVHf quinary alloy. We observe that the addition of Hf significantly modifies the SRO, mainly at intermediate to low temperatures, matching experimental observations.
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关键词
Refractory low-activation high entropy alloy,Short-range ordering,First-principle calculation,Monte Carlo simulation,Atom probe tomography
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