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Abstract Additively manufactured (AM) metallic materials often comprise as-printed dislocation cells inside grains. These dislocation cells can give rise to substantial microscale internal stresses in both initial undeformed and plastically deformed samples, thereby affecting the mechanical properties of AM metallic materials. Here we develop models of microscale internal stresses in AM stainless steel by focusing on their back stress components. Three sources of microscale back stresses are considered, including the printing and deformation-induced back stresses associated with as-printed dislocation cells as well as the deformation-induced back stresses associated with grain boundaries. We use a three-dimensional discrete dislocation dynamics model to demonstrate the manifestation of printing-induced back stresses. We adopt a dislocation pile-up model to evaluate the deformation-induced back stresses associated with as-printed dislocation cells. The extracted back stress relation from the pile-up model is incorporated into a crystal plasticity model that accounts for the other two sources of back stresses as well. The crystal plasticity finite element simulation results agree with the experimentally measured tension-compression asymmetry and macroscopic back stress, the latter of which represents the effective resultant of microscale back stresses of different origins. Our results provide an in-depth understanding of the origins and evolution of microscale internal stresses in AM metallic materials. 

Abstract First principles calculations of the energies and relaxation of unreconstructed low-index surfaces, i.e. (001), (011) and (111) surfaces, in NiCoCr and NiFe X ( X = Cu, Co or Cr) equiatomic multi-principal element alloys (MPEAs) are presented. The calculations were conducted for 12-layer slabs represented by special quasi-random supercells using the projector augmented wave method within the generalized gradient approximation. While experimental predictions are unavailable for comparison, the calculated surface energies agree fairly well with those from thermodynamic modeling and a bond-cutting model. In addition, the calculations unveil an important surface structure, namely, that the topmost surface layer is in contraction except for the (001) surface of NiFeCr alloy, the next layer below is in extension, and the bulk spacing is gradually recovered from the subsequent layers down. Additionally, the surface contraction is the most pronounced on the (011) plane, being about 4%–10% relative to the bulk spacings. The results presented here can provide an understanding of surface-controlled phenomena such as corrosion, catalytic activities and fracture properties in these equiatomic MPEAs.