title: Theoretical elastic moduli of ferromagnetic bcc Fe alloys.
abstract: The polycrystalline elastic parameters of ferromagnetic Fe(1-x)M(x) (M = Al, Si, V, Cr, Mn, Co, Ni, Rh; 0 ≤ x ≤ 0.1) random alloys in the body centered cubic (bcc) crystallographic phase have been calculated using first-principles alloy theory in combination with statistical averaging methods. With a few exceptions, the agreement between the calculated and the available experimental data for the polycrystalline aggregates is satisfactory. All additions considered here decrease the bulk modulus (B) and Poisson's ratio (ν) of bcc Fe. The complex composition dependence of the C(44) single-crystal elastic constant is reflected in the polycrystalline shear modulus (G), Young's modulus (E), and Debye temperature (Θ). The polycrystalline anisotropy of bcc Fe is increased by all additions, and Al, Si, Ni, and Rh yield the largest alloying effects.
authors.affiliation: Applied Materials Physics, Department of Materials Science and Engineering, Royal Institute of Technology, SE-10044 Stockholm, Sweden.
authors.forename: Hualei
authors.initials: H
authors.lastname: Zhang
authors.forename: Marko P J
authors.initials: MP
authors.lastname: Punkkinen
authors.forename: Börje
authors.initials: B
authors.lastname: Johansson
authors.forename: Levente
authors.initials: L
authors.lastname: Vitos
mesh_terms: D000465:Algorithms; D000497:Alloys; D000535:Aluminum / Q000737:chemistry; D003460:Crystallization; D055119:Elastic Modulus; D004548:Elasticity; D007501:Iron / Q000737:chemistry*; D008280:Magnetics; D015233:Models, Statistical; D009532:Nickel / Q000737:chemistry; D016012:Poisson Distribution; D012238:Rhodium / Q000737:chemistry; D012825:Silicon / Q000737:chemistry
chemical_list: D000497:Alloys; D009532:Nickel; D000535:Aluminum; D012238:Rhodium; D007501:Iron; D012825:Silicon