摘要
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 Fel-xCrx （04 x 40.156） 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 non- monotonically with the increasing Cr content. All alloys （except 9.4 at% Cr） exhibit less ductile behavior compared with pure bcc Fe. For the Fel-xCrx （04 x 40.156） alloys, the average magnetic moment per atom decreases linearly with the increasing Cr concentration.
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 Fel-xCrx （04 x 40.156） 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 non- monotonically with the increasing Cr content. All alloys （except 9.4 at% Cr） exhibit less ductile behavior compared with pure bcc Fe. For the Fel-xCrx （04 x 40.156） alloys, the average magnetic moment per atom decreases linearly with the increasing Cr concentration.
