Chemical and deformational interactions in solid solution of carbon in nickel

• 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.

Ämnesord

TEKNIK OCH TEKNOLOGIER  -- Materialteknik -- Metallurgi och metalliska material (hsv//swe)

ENGINEERING AND TECHNOLOGY  -- Materials Engineering -- Metallurgy and Metallic Materials (hsv//eng)

Nyckelord

interstitial phases

first-principles calculations

deformational interactions

chemical interactions

Publikations- och innehållstyp

ref (ämneskategori)

art (ämneskategori)