A Review of First-Principles Studies on Fe-Al Intermetallic Compounds

CHEN Weiqian, LA Peiqing, LI Yaming, XU Shipeng

doi:10.16577/j.issn.1001-1560.2024.0161

Materials Protection >

2024 , Vol. 57 >Issue 7: 142 - 153

DOI: https://doi.org/10.16577/j.issn.1001-1560.2024.0161

A Review of First-Principles Studies on Fe-Al Intermetallic Compounds

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(1.State Key Laboratory of Advance Processing and Recycling of Nonferrous metals, Lanzhou University of Technology, Lanzhou 730050, China；2.Gansu Key Laboratory of SolarPower Generation System, Jiuquan Vocational and Technical College, Jiuquan 735000, China)

LA Peiqing (1972－ ), Ph.D., Research Focus: Alloy Materials of the High Temperature Resistant, E-mail:564957834＠qq.com

Received date: 2023-09-21

Revised date: 2023-10-16

Accepted date: 2023-10-24

Online published: 2024-08-16

Supported by

Nature Science Foundation of Gansu Province (13JRRF0001), Science and Technology Support Plan Project of Jiuquan City(2022CA1011), and Vocational Education Reform Research Project of Gansu Province(2023gszyjy-50)

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Abstract

Fe-Al intermetallic compounds have great potential to replace nickel-based superalloys in industry, which is attributed to their attractive properties such as low density,high specific strength,good high-temperature oxidation and corrosion resistance and especially low cost.In this paper, important advances in the application of first-principles calculations to study the effect of element doping and microalloying on the brittleness at room temperature, high-temperature strength, interface bonding, high-temperature oxidation resistance and corrosion resistance of Fe-Al intermetallic compounds and coatings were comprehensively reviewed.A theoretical calculation scheme for first-principles research on the chloride salt corrosion resistance mechanism of B2 type Fe-Al alloy was designed,and the development directions for the application of first-principles calculations to study Fe-Al alloy and coatings were prospected.

Key words： first-principles; Fe-Al intermetallic compounds; mechanical properties; corrosion resistance; interfacial strength

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CHEN Weiqian, LA Peiqing, LI Yaming, XU Shipeng . A Review of First-Principles Studies on Fe-Al Intermetallic Compounds[J]. Materials Protection, 2024 , 57(7) : 142 -153 . DOI: 10.16577/j.issn.1001-1560.2024.0161

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