Data are a crucial raw material of this century. The amount of data that have been created in materials science thus far and that continues to be created every day is immense. Without a proper infrastructure that allows for collecting and sharing data, the envisioned success of big data-driven materials science will be hampered. For the field of computational materials science, the NOMAD (Novel Materials Discovery) Center of Excellence (CoE) has changed the scientific culture toward comprehensive and findable, accessible, interoperable, and reusable (FAIR) data, opening new avenues for mining materials science big data. Novel data-analytics concepts and tools turn data into knowledge and help in the prediction of new materials and in the identification of new properties of already known materials.

We investigate the two-photon absorption characteristics of hemicyanine dyes that exhibit a one-photon absorption at around 500 nm. The dyes exhibited two-photon-induced fluorescence upon irradiation with an Yb-doped femtosecond fiber laser operating at 1030 nm. Among the dyes, 4-[4-[4-(dimethylamino)phenyl]-1,3-butadienyl]-1-ethyl-pyridinium perchlorate exhibited the most efficient two-photon-induced fluorescence at 1030 nm. Since these dyes possess cationic moiety, the dyes accumulated in the mitochondria of a living cell. Two-photon images of mitochondria were obtained by staining living HEK293 cells with these dyes. When 4-[4-[4-(dimethylamino)phenyl]-1,3-butadienyl]-1-ethyl-pyridinium perchlorate was employed, a two-photon-induced fluorescence image could be obtained even when a 3 mW fiber laser beam was used as the excitation source.

In this work, three Mg–Zn–Y–Ca alloys reinforced by icosahedral quasicrystal phase through trace Y addition were extruded at a low temperature of 503 K. With increasing the contents of Zn and Y, the grain size of the as-extruded alloy was significantly reduced while both the size and volume fraction of nanosized precipitates were increased. The grain refinement in the Mg–Zn–Y–Ca alloy was related to dynamical recrystallization during extrusion and the pinning effect of nanosized precipitates on the grain boundaries. After extrusion, the yield strength (YS) and ultimate tensile strength (UTS) of the three alloys were significantly increased. The YS of 294.0 MPa, UTS of 337.5 MPa, and elongation of 10.6% were obtained in the case of Mg–2.09Zn–0.26Y–0.12Ca (at.%) alloys. The improvement in the mechanical properties could mainly be due to the grain boundary strengthening and Orowan strengthening. The as-cast alloy exhibited a typical cleavage fracture while the as-extruded alloy possessed a mixture fracture of dimple fracture and cracking along the twinning.

Coincidence site lattice (CSL) grain boundaries (GBs) are believed to be low-energy, resistant to intergranular fracture, as well as to hydrogen embrittlement. Nevertheless, the behavior of CSL-GBs are generally confused with their angular deviations. In the current study, the effect of angular deviation from the perfect $\Sigma 3(111)[1\bar 10]$ GBs in α-iron on the hydrogen diffusion and the susceptibility of the GB to hydrogen embrittlement is investigated through molecular static and dynamics simulations. By utilizing Rice–Wang model, it is shown that the ideal GB shows the highest resistance to decohesion below the hydrogen saturation limit. Finally, the hydrogen diffusivity along the ideal GB is observed to be the highest.

This paper explores thin films of the entropy-stabilized oxide (ESO) composition MgxNixCoxCuxZnxScxO (x ~ 0.167) grown by laser ablation in incremental gas pressures and O2/Ar ratios to modulate particle kinetic energy and plume reactivity. Low pressures supporting high kinetic energy adatoms favor the kinetic stabilization of a single rocksalt phase, while high pressures (low kinetic energy adatoms) result in phase separation. The pressure threshold for phase separation is a function of O2/Ar ratio. These findings suggest large kinetic energies facilitate the assembly and quench of metastable ESO phases that may require immoderate physical or chemical conditions to synthesize using near-equilibrium techniques.

In this work, we present an oxygen-releasing insole to treat diabetic foot ulcers. The insole consists of two layers of polydimethylsiloxane: the top layer has selective laser-machined areas (to tune oxygen permeability) targeting the ulcerated foot region, while the bottom layer provides structural support and incorporates a chamber for oxygen storage. When loaded with a pressure of 150 kPa (average value for standing/walking), the insole is able to release oxygen at a rate of 1.8 mmHg/min/cm2. At lower sitting pressures, the delivery rate persists at 0.092 mmHg/min/cm2, raising the oxygen level to an optimal healing value (50 mmHg) for a 2 × 2 cm2 wound within 150 min.

Si-TiN alloys are attractive for use as negative electrodes in Li-ion cells because of the high conductivity, low electrolyte reactivity, and thermal stability of TiN. Here it is shown that Si-TiN alloys with high Si content can surprisingly be made by simply ball milling Si and Ti powders in N2(g); a reaction not predicted by thermodynamics. This offers a low-cost and simple method of synthesizing these attractive materials. The resulting alloys have smaller grain sizes than Si-TiN made by ball milling Si and TiN directly, giving them high thermal stability and improved cycling characteristics in Li cells.

We review progress studying unique plasmonics in topological insulators (TIs). First, we describe exfoliation and deposition synthesis approaches. TI materials have substantially improved: it is now possible to grow samples with few trivial electrons and controllable doping. We then describe the theory behind the unique behavior of the coupled, 2D Dirac plasmons. While reviewing experimental efforts, we note that Dirac plasmons have been conclusively demonstrated in TIs and they show remarkable properties including long lifetimes, large mode indices, and huge modulation depths. Finally, we describe the opportunities that are present now that high-quality materials can be obtained, including spin and nanoparticle plasmons.