Browsing Mechanical Properties by Author "mfelling@illinois.edu"
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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 ... -
Effect of solutes on the lattice parameters and elastic stiffness coefficients of body-centered tetragonal Fe
Fellinger, Michael R.; Hector, Louis G. Jr.; Trinkle, Dallas R. (2018-03-03)We compute changes in the lattice parameters and elastic stiffness coefficients Cij of body-centered tetragonal (bct) Fe due to Al, B, C, Cu, Mn, Si, and N solutes. Solute strain misfit tensors determine changes in the ... -
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 ...