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Chemical and deformational interactions in solid solution of carbon in nickel
KTH, School of Industrial Engineering and Management (ITM), Materials Science and Engineering, Applied Material Physics.
2012 (English)In: Physics of metals and metallography, ISSN 0031-918X, Vol. 113, no 9, 831-835 p.Article in journal (Refereed) Published
Abstract [en]

A first-principles stuy of ordering phenomena in hcp interstitial solid solutions of oxygen and nitrogen in Ti, Zr and Hf has demonstrated that the dominant contributions to the interaction energy of interstitial atoms are of chemical nature; thus, it is necessary to modify the previously established concepts about the priority role of deformational interactions in interstitial solutions. We have continued studies of the role of chemical and deformational interactions of interstitial atoms by the example of solid solutions of carbon in nickel. The results obtained also confirm a significant role of chemical interactions between carbon atoms in these solid solutions. The results were compared with the experimental data on the enthalpy of carbon dissolution in nickel and on the coefficient of solutal expansion of the lattice.

Place, publisher, year, edition, pages
2012. Vol. 113, no 9, 831-835 p.
Keyword [en]
interstitial phases, first-principles calculations, deformational interactions, chemical interactions
National Category
Metallurgy and Metallic Materials
URN: urn:nbn:se:kth:diva-104245DOI: 10.1134/S0031918X1206004XISI: 000308359300002ScopusID: 2-s2.0-84868632516OAI: diva2:565185

QC 20121106

Available from: 2012-11-06 Created: 2012-10-31 Last updated: 2012-11-06Bibliographically approved

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Ruban, Andrei V.
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