Published September 2019 | Version v1
Journal article Metadata-only

Effects of B on the segregation of Mo at the Fe-Cr-NiΣ5(210) grain boundary

Creators

  • 1. College of Materials Science and Engineering, Taiyuan University of Technology, Taiyuan, 030024 (China)
  • 2. Institute of Solid State Physics and Department of Physics, Shanxi Datong University, Datong, 037009 (China)
  • 3. Key Laboratory of Interface Science and Engineering in Advanced Materials, Taiyuan University of Technology, Ministry of Education, Taiyuan, 030024 (China)
  • 4. College of Chemistry and Chemical Engineering, Taiyuan University of Technology, Taiyuan, 030024 (China)

Description

The precipitation of the σ phase at the grain boundary (GB) has an important effect on the properties of super austenitic stainless steel. This study used density functional theory (DFT) calculations to assess the segregation of Mo and B atoms at the GB and their effects on GB strength. The results demonstrated that Mo and B atoms tend to converge to grain boundary positions and B atoms are easier to segregate than Mo atoms. In addition, B can restrain the segregation of Mo to grain boundary positions, making it difficult for the positions to form an σ phase. An analysis of the inhibitory effect of different contents of B on Mo indicated that higher B content is better for restraining Mo segregation to grain boundary sites. These results are beneficial for improving the shortcomings of super austenitic stainless steel. B can also increase the GB strength while inhibiting the segregation of Mo to grain boundary sites and a charge density analysis demonstrated the results.

Availability note (English)

Available from http://dx.doi.org/10.1016/j.physb.2019.05.018

Additional details

Identifiers

DOI
10.1016/j.physb.2019.05.018;
PII
S0921452619302935;

Publishing Information

Journal Title
Physica. B, Condensed Matter
Journal Volume
568
Journal Page Range
p. 25-30
ISSN
0921-4526
CODEN
PHYBE3

INIS

Country of Publication
Netherlands
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
54125557
Subject category
S75: CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY;
Descriptors DEI
ATOMS; AUSTENITIC STEELS; CHARGE DENSITY; DENSITY FUNCTIONAL METHOD; GRAIN BOUNDARIES; PRECIPITATION
Descriptors DEC
ALLOYS; CALCULATION METHODS; CARBON ADDITIONS; IRON ALLOYS; IRON BASE ALLOYS; MICROSTRUCTURE; SEPARATION PROCESSES; STEELS; TRANSITION ELEMENT ALLOYS; VARIATIONAL METHODS

Optional Information

Copyright
Copyright (c) 2019 Elsevier B.V. All rights reserved.