Enthalpy driving force and chemical bond weakening: The solid-solution formation mechanism and densification behavior of high-entropy diborides (Hf1−x/4Zr1−x/4Nb1−x/4Ta1−x/4Scx)B2

Ze Zhang, Shizhen Zhu*, Yanbo Liu, Ling Liu, Zhuang Ma

*此作品的通讯作者

科研成果: 期刊稿件文章同行评审

15 引用 (Scopus)

摘要

(Hf0.2Zr0.2Nb0.2Ta0.2Sc0.2)B2 was designed to improve the densification and solid-solution formation of high-entropy transition metal diborides, and its phase stability was predicted using the energy distribution of the local mixing enthalpy of all possible configurations. It was found that (Hf0.2Zr0.2Nb0.2Ta0.2Sc0.2)B2 are enthalpy-stabilized materials. The two-component metal diborides formed by transition metal diborides (HfB2, ZrB2, TaB2 and NbB2) with ScB2 are thermodynamically favorable, based on the mixing enthalpy. Therefore, the introduction of ScB2 in high-entropy metal diborides is beneficial to reduce the mixing Gibbs free energy during the boro/carbothermal reduction process, which enables the formation of single-phase solid solution at low temperatures. Even high-entropy metal diboride powders with large particle sizes, 25–57 µm, can achieve sintered density up to ~97% due to the introduction of ScB2 in high-entropy metal diborides, owing to its weakening action on the TM d - B p and the TM dd bonding.

源语言英语
页(从-至)3685-3698
页数14
期刊Journal of the European Ceramic Society
42
9
DOI
出版状态已出版 - 8月 2022

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Zhang, Z., Zhu, S., Liu, Y., Liu, L., & Ma, Z. (2022). Enthalpy driving force and chemical bond weakening: The solid-solution formation mechanism and densification behavior of high-entropy diborides (Hf1−x/4Zr1−x/4Nb1−x/4Ta1−x/4Scx)B2. Journal of the European Ceramic Society, 42(9), 3685-3698. https://doi.org/10.1016/j.jeurceramsoc.2022.03.048