Browsing Mechanical Properties by Author "Department of Materials Science and Engineering, University of Illinois at Urbana-Champaign"

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Ab initio calculations of the lattice parameter and elastic stiffness coefficients of bcc Fe with solutes

Fellinger, Michael R.; Trinkle, Dallas R.; Hector Jr., Louis G. (2016-04-20)

Density functional theory calculates the effects of substitutional Al, B, Cu, Mn, Si solutes, and octahedral interstitial C and N solutes on the lattice parameter and elastic stiffness coefficients of bcc Fe at 0 K. We ...
Impact of solutes on the lattice parameters and elastic stiffness coefficients of hcp Fe from first-principles calculations

Fellinger, Michael R.; Hector Jr., Louis G.; Trinkle, Dallas R. (2018-12-16)

The hexagonal close-packed (hcp) $\epsilon$-martensite phase in steels nucleates from the austenite parent phase during plastic straining and can be stabilized by solute additions. We compute the lattice parameters and ...