Browsing Mechanical Properties by Author "Hector Jr., Louis G."

Now showing items 1-3 of 3

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 ...
Geometries of edge and mixed dislocations in bcc Fe from first principles calculations

Fellinger, Michael R.; Tan, Anne Marie Z.; Hector Jr., Louis G.; Trinkle, Dallas R.

We use density functional theory (DFT) to compute the core structures of a_0[100](010) edge, a_0[100](011) edge, a_0/2[-1-11](1-10) edge, and a_0/2[111](1-10) 71 degree mixed dislocations in body-centered cubic (bcc) Fe. ...
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 ...