Theoretical elastic moduli of ferromagnetic bcc Fe alloys
2010 (English)In: Journal of Physics: Condensed Matter, ISSN 0953-8984, E-ISSN 1361-648X, Vol. 22, no 27, 275402- p.Article in journal (Refereed) Published
The polycrystalline elastic parameters of ferromagnetic Fe1-xMx (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 (nu) 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 (Theta). The polycrystalline anisotropy of bcc Fe is increased by all additions, and Al, Si, Ni, and Rh yield the largest alloying effects.
Place, publisher, year, edition, pages
2010. Vol. 22, no 27, 275402- p.
Condensed Matter Physics
IdentifiersURN: urn:nbn:se:kth:diva-27263DOI: 10.1088/0953-8984/22/27/275402ISI: 000279003800008ScopusID: 2-s2.0-77953769654OAI: oai:DiVA.org:kth-27263DiVA: diva2:379172
FunderSwedish Research Council
QC 201012172010-12-172010-12-092011-11-23Bibliographically approved