Chemical regulation in the bonding reconstruction stage of amorphous Zr-Si oxidation and the resultant phase selection

被引：6

作者：

Cao, Guoqin ^{[1
]}

Chen, Chaoyang ^{[1
]}

Xu, Hongjie ^{[1
,2
]}

Ban, Jinjin ^{[1
]}

Liu, Fanfan ^{[1
]}

Yuan, Gaihuan ^{[3
]}

Lei, Honghong ^{[4
]}

Su, Yujie ^{[2
]}

Hu, Junhua ^{[1
]}

机构：

[1] Zhengzhou Univ, State Ctr Int Cooperat Designer Low Carbon & Envi, Sch Mat Sci & Engn, Zhengzhou 450001, Peoples R China

[2] North China Univ Water Resources & Elect Power, Sino German Resources Environm & Geohazards Res Ct, Zhengzhou 450046, Peoples R China

[3] State Nucl Baoti Zirconium Ind Co Ltd SNZ, Baoji 721013, Peoples R China

[4] Foguang Power Generat Equipment Co Ltd, Henan Prov Key Lab Met Fuel Battery, 50 Holly St, Zhengzhou 450000, Peoples R China

来源：

MATERIALS & DESIGN | 2023年 / 233卷

基金：

中国国家自然科学基金;

关键词：

Oxidation; Diffusion; EELS; Bonding reconstruction; Stability; HIGH-TEMPERATURE OXIDATION; ZIRCONIUM-SILICIDE; X-RAY; CORROSION BEHAVIOR; THERMAL-OXIDATION; EVOLUTION; ALLOY; WATER; OXIDE; EDGE;

D O I：

10.1016/j.matdes.2023.112291

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

A mechanism based on oxidation induced bonding reconstruction (OBR) was proposed to optimize phase selection during oxidation of amorphous ZrxSi1-x (0.55 < x < 0.75). According to VASP modeling, a self-barrier effect was proposed to regulate the OBR and Zr/Si separation at initial oxidation stage. The depressed Si inner-diffusion leads to the formation of amorphous bilayer structure. A Si-rich Zr-Si layer formed underneath the outer Zr-Si-O amorphous layer, which synergistically impeded oxygen permeation at subcritical environment. As confirmed by EELS and XPS, the alternative of Zr-O and Si-O bonds in Zr-Si-O layer contributed to the enhanced hydro chemical stability.

引用

页数：10

共 49 条

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