First-principles calculation of the interaction of Mn with ZrO2 and its effect on the formation of ferrite in high-strength low-alloy steels

被引：41
作者：
Li, Y. [1 ]
Wan, X. L. [1 ]
Cheng, L. [1 ]
Wu, K. M. [1 ]
机构：
[1] Wuhan Univ Sci & Technol, Int Res Inst Steel Technol, Hubei Collaborat Innovat Ctr Adv Steels, Wuhan 430081, Peoples R China
来源：
SCRIPTA MATERIALIA | 2014年 / 75卷
基金：
中国国家自然科学基金;
关键词：
Ferrites; Oxides; Phase transformations; Electron probe microanalysis (EPMA); First-principles calculation; HEAT-AFFECTED ZONE; LOW-CARBON STEELS; INTRAGRANULAR FERRITE; NONMETALLIC INCLUSIONS; ACICULAR FERRITE; NUCLEATION; MODEL; CRYSTALLOGRAPHY; THERMODYNAMICS; AUSTENITE;
D O I：
10.1016/j.scriptamat.2013.11.028
中图分类号：
TB3 [工程材料学];
学科分类号：
0805 ; 080502 ;
摘要：
The interaction between ZrO2 and the steel matrix was investigated by examining a solid-state bonded sample made of these two materials. A manganese-depleted zone and a ferrite-rich layer close to the bond line were observed. The formation energy of MnZr3O8 was determined to be negative, indicating the possibility of MnZr3O8 formation. Both experimental results and first-principles calculations supported the occurrence of diffusion of Mn into ZrO2 and the formation of ferrite within the Mn-depleted zone in the vicinity of ZrO2. (C) 2013 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
引用
收藏
页码：78 / 81
页数：4
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