Strain-induced elastic moduli softening and associated fcc{r_reversible}bcc transition in iron

Journal Article · Sun Nov 07 23:00:00 EST 2004 · Applied Physics Letters

DOI:https://doi.org/10.1063/1.1815060· OSTI ID:20634397

Lai, W S; Zhao, X S ^[1]

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1. Materials Science and Engineering, Department of Engineering, University of Liverpool, Liverpool L69 3BX (United Kingdom)

Using molecular dynamics calculations we demonstrate that with decreasing the thickness of ultrathin body-centered-cubic (bcc) {alpha}-Fe film with (001) surfaces, the biaxial strain results in first bcc(001){yields}face-centered-cubic (fcc) (001) transition along the inverse Bain path due to softening of C{sub 33}, and then fcc(001){yields}bcc(011) because of shear modulus vanishing along fcc <110> directions. For the bulk fcc {gamma}-Fe, the tensile biaxial strain along the Bain path transforms fcc (001) into bcc (001) with fcc<110> parallel bcc<100>, while compressive strain results in shear instability, in agreement with recent ab initio calculations.

• OSTI ID: 20634397
• Journal Information: Applied Physics Letters, Journal Name: Applied Physics Letters Journal Issue: 19 Vol. 85; ISSN APPLAB; ISSN 0003-6951
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
BCC LATTICES
FCC LATTICES
INSTABILITY
IRON-ALPHA
MOLECULAR DYNAMICS METHOD
PHASE TRANSFORMATIONS
SHEAR
STRAINS
STRESSES
SURFACES
THICKNESS
THIN FILMS