Automatization and stress analysis data of CoCr laser weld fatigue tests.

This work includes raw and analyzed test data when using a recently developed fatigue test method for miniature laser welds in cobalt-chromium (CoCr) alloy joints [1]: 10.1016/j.jmbbm.2019.07.004. The automization of fatigue tests is crucial for saving costs and personnel resources and that is the reason why the atomization threshold and the resulting spectrum data related to CoCr welds are provided here. The finite element method based stress computation output is provided related to shearing-mode tests to support the dataset as a whole. In addition, the compositional data of the parent material and the laser weld are given.

Miniature CoCr laser welds under cyclic shear: Fatigue evolution and crack growth.

Miniature laser welds with the root depth in the range of 50-300 µm represent air-tight joints between the components in medical devices, such as those in implants, growth rods, stents and various prostheses. The current work focuses on the development of a fatigue test specimen and procedure to determine fatigue lives of shear-loaded laser welds. A cobalt-chromium (CoCr) alloy is used as a benchmark case. S-N graphs, damage process, and fracture surfaces are studied by applying x-ray analysis, atomic force microscopy, and scanning electron microscopy both before and after the crack onset. A non-linear material model is fitted for the CoCr alloy to run finite element simulations of the damage and deformation. As a result, two tensile-loaded specimen designs are established and the performance is compared to that of a traditional torque-loaded specimen. The new generation specimens show less variation in the determined fatigue lives due to well-defined crack onset point and, therefore, precise weld seam load during the experiments. The fatigue damage concentrates to the welded material and the entire weld experiences fatigue prior to the final, fracture-governed failure phase. For the studied weld seams of hardened CoCr, a regression fatigue limit of 10.8-11.8 MPa, where the stress refers to the arithmetic average shear stress computed along the region dominated by shear loading, is determined.

Reactivity at the Cu2O(100):Cu-H2O interface: a combined DFT and PES study.

The water-cuprite interface plays an important role in dictating surface related properties. This not only applies to the oxide, but also to metallic copper, which is covered by an oxide film under typical operational conditions. In order to extend the currently scarce knowledge of the details of the water-oxide interplay, water interactions and reactions on a common Cu2O(100):Cu surface have been studied using high-resolution photoelectron spectroscopy (PES) as well as Hubbard U and dispersion corrected density functional theory (PBE-D3+U) calculations up to a bilayer water coverage. The PBE-D3+U results are compared with PBE, PBE-D3 and hybrid HSE06-D3 calculation results. Both computational and experimental results support a thermodynamically favored, and H2O coverage independent, surface OH coverage of 0.25-0.5 ML, which is larger than the previously reported value. The computations indicate that the results are consistent also for ambient temperatures under wet/humid and oxygen lean conditions. In addition, both DFT and PES results indicate that the initial (3,0;1,1) surface reconstruction is lifted upon water adsorption to form an unreconstructed (1 × 1) Cu2O(100) structure.

Studies on the adsorption of chromium(VI) onto 3-Mercaptopropionic acid coated superparamagnetic iron oxide nanoparticles.

Chromium (Cr) in the form of Cr(VI) is deemed toxic in water due to its mutagenic and carcinogenic properties. For the successful removal of Cr(VI), we demonstrate a novel adsorbent consisting of superparamagnetic iron oxide nanoparticles (SPION) functionalized with 3-Mercaptopropionic acid (3-MPA). Fourier transform infrared spectroscopy (FT-IR) confirmed the functionalization of nanoparticles and presence of sulfonate groups. Batch adsorption experiments showed that the functionalized adsorbent recovered 45 mg of Cr(VI)/g of 3-MPA coated SPION at initial concentration of 50mg/L aqueous solution at pH 1 with less than 1% of Fe dissolution from SPION. The results from X-ray photoelectron spectroscopy confirmed that Cr(VI) chemisorbed onto the adsorbent. Hence, the XPS spectra did not indicate any reduction of Cr(VI) to Cr(III) upon adsorption. The adsorption data were better fitted for the Freundlich model. Moreover, the Cr(VI) adsorption kinetics on functionalized SPION followed a pseudo-second order rate, revealing chemisorption as the dominant mechanism. The high Cr(VI) removal, rapid adsorption kinetics and stability of adsorbent indicate that 3-MPA coated SPION could be an efficient adsorbent for the removal of Cr(VI).

Potassium-intercalated H2Pc films: alkali-induced electronic and geometrical modifications.

X-ray spectroscopy studies of potassium intercalated metal-free phthalocyanine multilayers adsorbed on Al(110) have been undertaken. Photoelectron spectroscopy measurements show the presence of several charge states of the molecules upon K intercalation, due to a charge transfer from the alkali. In addition, the comparison of valence band photoemission spectra with the density functional theory calculations of the density of states of the H(2)Pc(-) anion indicates a filling of the formerly lowest unoccupied molecular orbital by charge transfer from the alkali. This is further confirmed by x-ray absorption spectroscopy (XAS) studies, which show a decreased density of unoccupied states. XAS measurements in different experimental geometries reveal that the molecules in the pristine film are standing upright on the surface or are only slightly tilted away from the surface normal but upon K intercalation, the molecular orientation is changed in that the tilt angle of the molecules increases.

Changing adsorption mode of FePc on TiO2(110) by surface modification with bipyridine.

Surface modification of reactive oxide substrates to obtain a less strongly interacting template for dye adsorption may be a way to enhance performance in dye-sensitized solar cells. In this work, we have investigated the electronic and structural properties of 4,4(')-bipyridine (bipy) as modifier adsorbed on the TiO(2)(110) surface. The modified surface is then coated with iron phthalocyanine (FePc) and the properties of this heterostructure are investigated with synchrotron based photoelectron spectroscopy, x-ray absorption spectroscopy, and scanning tunneling microscopy. We find that a saturated monolayer consisting of standing bipy molecules with one nitrogen atom pointing outward is formed on the oxide surface. FePc adsorb in molecular chains along the [001] direction on top of bipy and ordered in a tilted arrangement with adjacent molecules partially overlapping. Already from the first layer, the electronic properties of FePc resemble those of multilayer films. FePc alone is oxidized on the TiO(2)(110) surface, but preadsorbed bipy prevents this reaction. The energy level lineup at the interface is clarified.

Ordered phthalocyanine superstructures on Ag(110).

Organic-metal interfaces, in particular, self-assembling systems, are interesting in the field of molecular electronics. In this study, we have investigated the formation of the Ag(110)-iron phthalocyanine (FePc) interface in a coverage range of less than 1 and up to 2 ML using synchrotron based photoelectron spectroscopy and low energy electron diffraction. As-deposited FePc forms a densely packed first layer exhibiting a 3 x 2c(6 x 2) symmetry. Upon thermal treatment the order at the interface is modified depending on the initial FePc coverage, resulting in less densely packed but still ordered superstructures. The first monolayer is relatively strongly bound to the substrate, leading to the formation of an interface state just below the Fermi level. The highest occupied molecular orbital of FePc in the second layer is found at 1 eV higher binding energy compared to the interface state.

Scanning tunneling microscopy of Fe- and O-sublattices on Fe3O4(100).

We present scanning tunneling microscopy of an octahedral (B) plane terminated (square root of 2 x square root of 2) R45 degrees-reconstructed surface of a natural magnetite (100) crystal. Implementing a W-tip we achieve the same resolution on Fe rows as was reported in the past either with the use of antiferromagnetic tips or on magnetite (Fe3O4) films. We show images of Fe or O sublattices of Fe3O4 with atomic resolution.