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References

Articles:
•	Appolaire, Benoit, Perevoshchikova, Nataliya, Teixeira, Julien and Denis, Sabine A convex hull algorithm for minimization of Gibbs energy in two-phase multicomponent alloys Solid State Phenomena, 172-174(Part 1):1214-1219 2011 ISSN: 1012-0394 DOI: 10.4028/www.scientific.net/SSP.172-174.1214 Resume: We have adapted the Quickhull algorithm with the general dimension Beneath-Beyond algorithm [6] for computing the convex hull of the Gibbs energy hypersurface of multicomponent two-phase alloys. We illustrate the salient features of our method with calculations of isothermal ferrite-austenite equilibria in Fe-C-Cr. Finally, successive equilibrium calculations in a Fe-C-Cr-Mo steel over a large temperature range show the benefit of computing the convex hull before performing the conventional Newton-Raphson search. Equipe: Département SI2M : Microstructures et Contraintes
•	Daoudi, M., Triki, A. and Redjaïmia, A. DSC study of the kinetic parameters of the metastable phases formation during non-isothermal annealing of an Al-Si-Mg alloy. Journal of Thermal Analysis and Calorimetry, 104 (2):627-633 2011 DOI: 10.1007/s10973-010-1099-8 Equipe: Département SI2M : Microstructures et Contraintes
•	Borgese, L., Bontempi, E., Gelfi, M., Depero, L. E., Goudeau, P., Geandier, G. and Thiaudière, D. Microstructure and elastic properties of atomic layer deposited TiO2 anatase thin films Acta Materialia, 59(7):2891-2900 2011 ISSN: 1359-6454 DOI: 10.1016/j.actamat.2011.01.032 Resume: Amorphous TiO2 thin films were deposited by means of atomic layer deposition on Kapton substrates and then crystallized ex situ by annealing at 300 degrees C to obtain the anatase phase. The morphology, structure and microstructure of films treated for 12, 24, 72 and 90 h were investigated. The local Ti coordination changes were studied by X-ray near-edge structure (XANES). On the basis of X-ray diffraction residual stress calculations, the elastic anisotropy of the films is experimentally determined for the first time (A(comp) = 0.07, A(shear) = 0.03). The film macro-strains increased with the time of treatment, while the micro-strains decreased. This effect may be correlated with the incipient anatase-to-rutile transformation as suggested by the changes observed in the XANES pattern of the film treated for 90 h. However, the contribution of the substrate cannot be excluded. (C) 2011 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved. Equipe: Département SI2M : Microstructures et Contraintes

Articles:

•

Appolaire, Benoit, Perevoshchikova, Nataliya, Teixeira, Julien and Denis, Sabine

A convex hull algorithm for minimization of Gibbs energy in two-phase multicomponent alloys

Solid State Phenomena, 172-174(Part 1):1214-1219

2011

ISSN: 1012-0394

DOI: 10.4028/www.scientific.net/SSP.172-174.1214

Resume: We have adapted the Quickhull algorithm with the general dimension Beneath-Beyond algorithm [6] for computing the convex hull of the Gibbs energy hypersurface of multicomponent two-phase alloys. We illustrate the salient features of our method with calculations of isothermal ferrite-austenite equilibria in Fe-C-Cr. Finally, successive equilibrium calculations in a Fe-C-Cr-Mo steel over a large temperature range show the benefit of computing the convex hull before performing the conventional Newton-Raphson search.

Equipe: Département SI2M : Microstructures et Contraintes

•

Daoudi, M., Triki, A. and Redjaïmia, A.

DSC study of the kinetic parameters of the metastable phases formation during non-isothermal annealing of an Al-Si-Mg alloy.

Journal of Thermal Analysis and Calorimetry, 104 (2):627-633

2011

DOI: 10.1007/s10973-010-1099-8

Equipe: Département SI2M : Microstructures et Contraintes

•

Borgese, L., Bontempi, E., Gelfi, M., Depero, L. E., Goudeau, P., Geandier, G. and Thiaudière, D.

Microstructure and elastic properties of atomic layer deposited TiO2 anatase thin films

Acta Materialia, 59(7):2891-2900

2011

ISSN: 1359-6454

DOI: 10.1016/j.actamat.2011.01.032

Resume: Amorphous TiO2 thin films were deposited by means of atomic layer deposition on Kapton substrates and then crystallized ex situ by annealing at 300 degrees C to obtain the anatase phase. The morphology, structure and microstructure of films treated for 12, 24, 72 and 90 h were investigated. The local Ti coordination changes were studied by X-ray near-edge structure (XANES). On the basis of X-ray diffraction residual stress calculations, the elastic anisotropy of the films is experimentally determined for the first time (A*(comp) = 0.07, A*(shear) = 0.03). The film macro-strains increased with the time of treatment, while the micro-strains decreased. This effect may be correlated with the incipient anatase-to-rutile transformation as suggested by the changes observed in the XANES pattern of the film treated for 90 h. However, the contribution of the substrate cannot be excluded. (C) 2011 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Equipe: Département SI2M : Microstructures et Contraintes

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