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Influence of Mn content on the intrinsic energy barriers of paramagnetic FeMn alloys from longitudinal spin fluctuation theory
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.ORCID iD: 0000-0001-9317-6205
Chongqing Univ, Coll Mat Sci & Engn, Chongqing 400030, Peoples R China..
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.ORCID iD: 0000-0001-7724-8299
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2019 (English)In: International journal of plasticity, ISSN 0749-6419, E-ISSN 1879-2154, Vol. 119, p. 123-139Article in journal (Refereed) Published
Abstract [en]

First-principles calculations were performed to investigate the influence of Mn content on the intrinsic energy barriers (IEBs) of paramagnetic FeMn alloys with face-centered cubic (fcc) structure. The IEBs were derived from the free energies accounting for longitudinal spin fluctuations (LSFs). LSFs are demonstrated to be important for the quantitative description of IEBs and their alloying dependencies at finite temperature. The unstable stacking and unstable twinning fault energies of the fcc phase slightly decrease with Mn content, whereas the intrinsic stacking fault energy (gamma(fcc)(isf)) is predicted to monotonically increase. This latter finding contradicts the experimentally reported, local minimum of gamma(isf) in the fcc/hexagonal close-packed (hcp) coexistence region. The partitioning of Mn during the fcc/hcp phase transition is proposed to reconcile theory and experiment. Both temperature and impurities ([C] and Cr) hardly influence the monotonic concentration dependence of gamma(fcc)(isf) but considerably alter the magnitude. The fcc/hcp interfacial energy is nearly independent of Mn concentration in contrast to the parabolic dependence predicted in thermodynamic modeling. In contrast to the fcc phase, the estimated intrinsic stacking fault energy of the ideal hcp structure monotonically decreases with Mn content and temperature. A high twinnability is predicted at 450 K within the stability field of the paramagnetic fcc Fe-Mn alloys.

Place, publisher, year, edition, pages
PERGAMON-ELSEVIER SCIENCE LTD , 2019. Vol. 119, p. 123-139
Keywords [en]
Manganese, Stacking fault energy, Paramagnetism, Longitudinal spin fluctuations, TWIP steels
National Category
Engineering and Technology
Identifiers
URN: urn:nbn:se:kth:diva-271988DOI: 10.1016/j.ijplas.2019.02.020ISI: 000471088600007Scopus ID: 2-s2.0-85062776427OAI: oai:DiVA.org:kth-271988DiVA, id: diva2:1425583
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QC 20200421

Available from: 2020-04-21 Created: 2020-04-21 Last updated: 2020-04-21Bibliographically approved

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Dong, ZhihuaSchönecker, StephanLi, WeiLu, SongVitos, Levente

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