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Search: (swepub) pers:(Johansson Börje) conttype:(refereed) pers:(Hu Qing Miao) > (2010) > First-principles de...

  • Lu, SongKTH,Tillämpad materialfysik (author)

First-principles determination of the alpha-alpha ' interfacial energy in Fe-Cr alloys

  • Article/chapterEnglish2010

Publisher, publication year, extent ...

  • 2010
  • printrdacarrier

Numbers

  • LIBRIS-ID:oai:DiVA.org:kth-27054
  • https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-27054URI
  • https://doi.org/10.1103/PhysRevB.82.195103DOI

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  • Language:English
  • Summary in:English

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  • Subject category:ref swepub-contenttype
  • Subject category:art swepub-publicationtype

Notes

  • QC 20101213
  • The interfacial energies (gamma) between the Cr-rich alpha'-FexCr1-x and Fe-rich alpha-Fe1-yCry phases (0 < x, y < 0.35) are calculated to be between similar to 0.02 and similar to 0.33 J m(-2) for the ferromagnetic state and between similar to 0.02 and similar to 0.27 J m(-2) for the paramagnetic state. Although for both magnetic states, the interfacial energy follows a general decreasing trend with increasing x and y, the fine structures of the gamma(x, y) maps exhibit a marked magnetic state dependence. The subtleties are shown to be ascribed to the magnetic interaction between the Fe and Cr atoms near the interface. The theoretical results are applied to estimate the critical grain size for nucleation and growth in Fe-Cr stainless steel alloys.

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  • Hu, Qing-MiaoKTH,Tillämpad materialfysik(Swepub:kth)u1kzuui0 (author)
  • Yang, Rui (author)
  • Johansson, BörjeKTH,Tillämpad materialfysik(Swepub:kth)u13m8u34 (author)
  • Vitos, LeventeKTH,Tillämpad materialfysik(Swepub:kth)u17bp5wm (author)
  • KTHTillämpad materialfysik (creator_code:org_t)

Related titles

  • In:Physical Review B. Condensed Matter and Materials Physics82:19, s. 195103-1098-01211550-235X

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Lu, Song
Hu, Qing-Miao
Yang, Rui
Johansson, Börje
Vitos, Levente
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NATURAL SCIENCES
NATURAL SCIENCES
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Physical Review ...
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Royal Institute of Technology

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