Effect of temperature on the elastic anisotropy of pure Fe and Fe0.9Cr0.1 random alloy

• The elastic properties of pure iron and substitutionally disordered 10 at. % Cr Fe-Cr alloy areinvestigated as a function of temperature using first-principles electronic-structure calculations bythe exact muffin-tin orbitals method. The temperature effects on the elastic properties are includedvia the electronic, magnetic, and lattice expansion contributions. We show that the degree ofmagnetic order in both pure iron and Fe90Cr10 alloy mainly determines the dramatic change of theelastic anisotropy of these materials at elevated temperatures. The effect of lattice expansion isfound to be secondary but also very important for quantitative modeling.

Ämnesord

NATURVETENSKAP  -- Fysik -- Den kondenserade materiens fysik (hsv//swe)

NATURAL SCIENCES  -- Physical Sciences -- Condensed Matter Physics (hsv//eng)

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

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

Nyckelord

first principles

Fe-Cr

elastic properties

ab initio

Publikations- och innehållstyp

ref (ämneskategori)

art (ämneskategori)