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Understanding the mechanical properties of reduced activation steels
Dalian Univ Technol, Minist Educ, Key Lab Mat Modificat Laser Electron & Ion Beams, Dalian 116024, Peoples R China.;KTH Royal Inst Technol, Dept Mat Sci & Engn, Appl Mat Phys, SE-10044 Stockholm, Sweden..
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering.
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.ORCID iD: 0000-0001-9317-6205
Changzhou Vocat Inst Mechatron Technol, Inst Mold Technol, Changzhou 213164, Peoples R China..
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2018 (English)In: Materials & design, ISSN 0264-1275, E-ISSN 1873-4197, Vol. 146, p. 260-272Article in journal (Refereed) Published
Abstract [en]

Reduced activation ferritic/martensitic (RAFM) steels are structural materials with potential application in Generation-IV fission and fusion reactors. We use density-functional theory to scrutinize the micro-mechanical properties of the main alloy phases of three RAFM steels based on the body-centered cubic FeCrWVMn solid solution. We assess the lattice parameters and elastic properties of ferromagnetic alpha-Fe and Fe91Cr9, which are the main building blocks of the RAFM steels, and present a detailed analysis of the calculated alloying effects of V, Cr, Mn, and W on the mechanical properties of Fe91Cr9. The composition dependence of the elastic parameters is decomposed into electronic and volumetric contributions and studied for alloying levels that cover the typical intervals in RAFM steels. A linear superposition of the individual solute effects on the properties of Fe91Cr9 is shown to provide an excellent approximation for the ab initio values obtained for the RAFM steels. The intrinsic ductility is evaluated through Rice's phenomenological theory using the surface and unstable stacking fault energies, and the predictions are contrasted with those obtained by empirical criteria. Alloying with V or W is found to enhance the ductility, whereas additional Cr or Mn turns the RAFM base alloys more brittle.

Place, publisher, year, edition, pages
ELSEVIER SCI LTD , 2018. Vol. 146, p. 260-272
Keywords [en]
Reduced activation ferritic/martensitic steels, Elastic properties, Ductility
National Category
Metallurgy and Metallic Materials
Identifiers
URN: urn:nbn:se:kth:diva-226182DOI: 10.1016/j.matdes.2018.03.009ISI: 000428802500026Scopus ID: 2-s2.0-85041459373OAI: oai:DiVA.org:kth-226182DiVA, id: diva2:1206161
Note

QC 20180516

Available from: 2018-05-16 Created: 2018-05-16 Last updated: 2018-05-16Bibliographically approved

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Li, XiaoqingSchönecker, Stephan

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