Visually black, electrically leaky, amorphous titania (am-TiO 2 ) thin films were grown by atomic layer deposition (ALD) for photocatalytic applications. Broad spectral absorbance in the visible range and exceptional conductivity are attributed to trapped Ti 3+ in the film. Oxidation of Ti 3+ upon heat treatment leads to a drop in conductivity, a color change from black to white, and crystallization of am-TiO 2 . ALD-grown black TiO 2 , without any heat treatment, is subject to dissolution in alkaline photoelectrochemical conditions. The best photocatalytic activity for solar water splitting is obtained for completely crystalline white TiO 2 .

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A versatile generic framework for parent grain reconstruction from fully or partially transformed child microstructures has been integrated into the open-source crystallographic toolbox MTEX. The framework extends traditional parent grain reconstruction, phase transformation and variant analysis to all parent–child crystal symmetry combinations. The inherent versatility of the universally applicable parent grain reconstruction methods and the ability to conduct in-depth variant analysis are showcased via example workflows that can be programmatically modified by users to suit their specific applications. This is highlighted by three applications, namely α′-to-γ reconstruction in a lath martensitic steel, α-to-β reconstruction in a Ti alloy, and a two-step reconstruction from α′ to ɛ to γ in a twinning and transformation-induced plasticity steel. Advanced orientation relationship discovery and analysis options, including variant analysis, are demonstrated via the add-on function library ORTools.

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The design of a new steel with specific properties is always challenging owing to the complex interactions of many variables. In this work, this challenge is dealt with by combining metallurgical principles with computational thermodynamics and kinetics to design a novel steel composition suitable for thermomechanical processing and induction heat treatment to achieve a hardness level in excess of 600 HV with the potential for good fracture toughness. CALPHAD-based packages for the thermodynamics and kinetics of phase transformations and diffusion, namely Thermo-Calc ® and JMatPro ® , have been combined with an interdendritic segregation tool (IDS) to optimize the contents of chromium, molybdenum and niobium in a proposed medium-carbon low-manganese steel composition. Important factors taken into account in the modelling and optimization were hardenability and as-quenched hardness, grain refinement, and alloying cost. For further investigations and verification, the designed composition, i.e. in wt.% 0.40C, 0.20Si, 0.25Mn, 0.90Cr, 0.50Mo, was cast with two nominal levels of Nb: 0 and 0.012 wt.%. The results showed that an addition of Nb decreases the austenite grain size during casting and after slab reheating prior to hot rolling. Validation experiments showed that the predicted properties i.e. hardness, hardenability and level of segregation for the designed composition were realistic. It is also demonstrated that the applied procedure could be useful in reducing the number of experiments required for developing compositions for other new steels.

Auto-tempering is a feature of the technologically important as-quenched low-carbon martensitic steels. The focus of this paper is on the morphology of the martensite and the orientation of the last forming untempered regions in relation to the earlier formed auto-tempered martensite in both small and large austenite grains. A low-carbon martensitic steel plate was austenitized for 24 h and quenched to room temperature. The resulting microstructure was characterized using electron microscopy and electron back scattered diffraction (EBSD) imaging. It was found that all the untempered regions in the martensitic microstructure were oriented with the plane normals {100} close to the thickness, or normal, direction of the plates. Variant analysis revealed that the untempered regions and the auto-tempered regions are part of the same packet.