Ab-initio based models for temperature-dependent magneto-chemical interplay in bcc Fe-Mn alloys

Autor: Schneider, Anton, Fu, Chu-Chun, Waseda, Osamu, Barreteau, Cyrille, Hickel, Tilmann

Publikováno v: Phys. Rev. B 103, 024421 (2021)

Body-centered cubic (bcc) Fe-Mn systems are known to exhibit a complex and atypical magnetic behaviour from both experiments and 0 K electronic-structure calculations, which is due to the half-filled 3d-band of Mn. We propose effective interaction mo

Externí odkaz: http://arxiv.org/abs/2008.02013

Trying to model long time ageing using AKMC: the need to turn to mixed/hybrid methods

Autor: Becquart, Charlotte, Candela, Romain, Gelin, Simon, Mousseau, Normand, Veiga, Roberto, Domain, Christophe, Panier, Baptiste, Perez, Michel, Waseda, Osamu

Publikováno v: SIAM CONFERENCE ON MATHEMATICAL ASPECTS OF MATERIALS SCIENCE-MS 21 SIAM-MS2117
SIAM CONFERENCE ON MATHEMATICAL ASPECTS OF MATERIALS SCIENCE-MS 21 SIAM-MS2117, May 2021, on line, Spain

International audience

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::cd733864f11516ceb8850ae29729c139
https://hal.univ-lille.fr/hal-03279591

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Atomic scale investigation of ageing in metals

Autor: Waseda , Osamu

Publikováno v: Materials. Université de Lyon, 2016. English. 〈NNT : 2016LYSEI150〉
Materials. Université de Lyon, 2016. English. ⟨NNT : 2016LYSEI150⟩

The objective of the thesis was to understand the microscopic features at the origin of ageing in metals. The originality of this contribution was the com- bination of three complementary computational techniques : (1) Metropolis Monte Carlo (MMC), (

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=dedup_wf_001::16b80c466cea75042f67549e94eb04c0
https://theses.hal.science/tel-01753891