Release Time:2019-03-09  Hits:

Indexed by: Journal Article

Date of Publication: 2012-06-01

Journal: FRONTIERS OF PHYSICS

Included Journals: SCIE

Volume: 7

Issue: 3

Page Number: 360-365

ISSN: 2095-0462

Key Words: Fe-Cr alloys; mechanical properties; lattice constant; magnetic moment

Abstract: The effect of chromium content on the fundamental mechanical properties of Fe-Cr alloys has been studied by first-principles calculations. Within a random solid solution model, the lattice constants and the elastic constants of ferromagnetic bcc Fe1-x Cr (x) (0a (c) 1/2 center dot a (c) 1/20.156) alloys were calculated for different compositions. With addition of Cr content, the lattice parameters of Fe-Cr alloys are larger than that of pure Fe solid, and the corresponding Young's modulus and shear modulus rise nonmonotonically with the increasing Cr content. All alloys (except 9.4 at% Cr) exhibit less ductile behavior compared with pure bcc Fe. For the Fe1-x Cr (x) (0a (c) 1/2 center dot a (c) 1/20.156) alloys, the average magnetic moment per atom decreases linearly with the increasing Cr concentration.