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一种通用的生物相容性 Zn 基合金的固态强化规律,与 Mg 基合金的比较。

A generalized solid strengthening rule for biocompatible Zn-based alloys, a comparison with Mg-based alloys.

机构信息

School of Materials Science and Engineering, Beihang University, Beijing 100191, P. R. China.

IT4Innovations Center, VSB-Technical University of Ostrava, CZ-70833 Ostrava, Czech Republic.

出版信息

Phys Chem Chem Phys. 2019 Oct 28;21(40):22629-22638. doi: 10.1039/c9cp04106k. Epub 2019 Oct 8.

Abstract

Solid solution strengthening has been widely used in designing various high-performance biocompatible Mg-based alloys, but its transferability to other biocompatible metals such as Zn-based alloys is questionable or nearly absent. In the present study, an ab initio informed Peierls-Nabarro model and Leyson et al.'s strengthening model are used for a systematic investigation on solute strengthening in Zn-based alloys, which is compared with the widely studied Mg-based alloys. Although an inverse relationship was revealed between volume misfit ε and chemical misfit ε for both Zn-based and Mg-based alloys, most solutes would however result in positive ε and negative ε for Zn-based alloys, differing from Mg-based alloys. With ε and ε as two key descriptors, a generalized scaling diagram is finally drawn for a fast evaluation of solid solution strengthening in Zn-based alloys, indicating that the alkaline-earth and rare earth elements are better strengtheners for Zn-based alloys, which provides a general rule in designing novel biocompatible materials.

摘要

固溶强化已被广泛应用于设计各种高性能生物相容性 Mg 基合金,但它在其他生物相容性金属如 Zn 基合金中的可转移性是有疑问的或几乎不存在的。在本研究中,我们使用基于第一性原理的 Peierls-Nabarro 模型和 Leyson 等人的强化模型对 Zn 基合金中的溶质强化进行了系统的研究,并与广泛研究的 Mg 基合金进行了比较。尽管 Zn 基和 Mg 基合金的体积失配ε和化学失配ε之间存在反比关系,但大多数溶质在 Zn 基合金中会导致正的ε和负的ε,与 Mg 基合金不同。通过ε和ε作为两个关键描述符,最后为 Zn 基合金的固溶强化绘制了一个广义的标度图,表明碱土金属和稀土元素是 Zn 基合金更好的强化剂,这为设计新型生物相容性材料提供了一个一般规则。

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