DFT and HAADF-STEM Investigations of the Zn Effects on β″ Phase Structure in a Zn Added Al-Mg-Si-Cu Alloy

First-principles calculations were conducted to investigate the effects of Zn on the structure of β″ phase. The effects of Cu, which was often added in the alloy, were also taken into consideration. Firstly, single Zn or Cu atom was doped on different sites of the β″ phase. Then the formation enthalpies and lattice constants of doped β″ phases were calculated. The results showed that it was more energetically favorable for single Zn or Cu atom to occupy Si3/Al sites than other sites. Furthermore, different quantities of Zn or Cu atoms were doped on Si3/Al sites. With the amounts of doping atoms increasing, the formation enthalpies of β″ phases doped by Zn were lower than which doped by Cu, indicating that it was more preferential for Zn to enter the β″ phase when Zn content was higher than Cu. Additionally, the doping of Zn could reduce the formation enthalpies of the β″ phase, which promoted the formation of the β″ phases. As a result, the aging hardening response of the alloy was improved. High angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) characterization was also conducted on a peak-aging Zn added Al-Mg-Si-Cu alloy. The HAADF-STEM image of β″ phase showed that the occupancies of Zn atoms were just on the Si3/Al sites and substituted all the Al atoms, which was consistent with the results of first-principles calculations.

Metal artefact reduction of different alloys with dual energy computed tomography (DECT)

To evaluate the influence of dual-energy CT (DECT) and Virtual monochromatic spectral (VMS) imaging on: (1) the artefact size of geometrically identical orthopaedic implants consisting of three different compositions and (2) the image quality of the surrounding bone, three similar phantoms—each featuring one femoral stem composed of either titanium, chrome-cobalt or stainless steel surrounded by five calcium pellets (200 mg hydroxyapatite/calcium carbonate) to simulate bony tissue and one reference pellet located away from the femoral stem—were built. DECT with two sequential scans (80 kVp and 140 kVp; scan-to-scan technique) was performed, and VMS images were calculated between 40 and 190 keV. The artefact sizes were measured volumetrically by semiautomatic selection of regions of interest (ROIs), considering the VMS energies and the polychromatic spectres. Moreover, density and image noise within the pellets were measured. All three phantoms exhibit artefact size reduction as energy increases from 40 to 190 keV. Titanium exhibited a stronger reduction than chrome-cobalt and stainless steel. The artefacts were dependent on the diameter of the stem. Image quality increases with higher energies on VMS with a better depiction of surrounding structures. Monoenergetic energies 70 keV and 140 keV demonstrate superior image quality to those produced by spectral energies 80 kVp and 140 kVp.