Low-hysteresis shape-memory ceramics designed by multimode modelling.

Zirconia ceramics exhibit a martensitic phase transformation that enables large strains of order 10%, making them prospects for shape-memory and superelastic applications at high temperature1-5. Similarly to other martensitic materials, this transformation strain can be engineered by carefully alloying to produce a more commensurate transformation with reduced hysteresis (difference in transformation temperature on heating and cooling)6-11. However, such 'lattice engineering' in zirconia is complicated by additional physical constraints: there is a secondary need to manage a large transformation volume change12, and to achieve transformation temperatures high enough to avoid kinetic barriers6. Here we present a method of augmenting the lattice engineering approach to martensite design to address these additional constraints, incorporating modern computational thermodynamics and data science tools to span complex multicomponent spaces for which no data yet exist. The result is a new zirconia composition with record low hysteresis of 15 K, which is about ten times less transformation hysteresis compared to typical values (and approximately five times less than the best values reported so far). This finding demonstrates that zirconia ceramics can exhibit hysteresis values of the order of those of widely deployed shape-memory alloys, paving the way for their use as viable high-temperature shape-memory materials.

Nanotwinning-assisted dynamic recrystallization at high strains and strain rates.

Grain refinement is a widely sought-after feature of many metal production processes and frequently involves a process of recrystallization. Some processing methods use very high strain rates and high strains to refine the grain structure into the nanocrystalline regime. However, grain refinement processes are not clear in these extreme conditions, which are hard to study systematically. Here, we access those extreme conditions of strain and strain rate using single copper microparticle impact events with a laser-induced particle impact tester. Using a combined dictionary-indexing electron backscatter diffraction and scanning transmission electron microscopy approach for postmortem characterization of impact sites, we systematically explore increasing strain levels and observe a recrystallization process that is facilitated by nanotwinning, which we term nanotwinning-assisted dynamic recrystallization. It achieves much finer grain sizes than established modes of recrystallization and therefore provides a pathway to the finest nanocrystalline grain sizes through extreme straining processes.

Global optimization for accurate determination of EBSD pattern centers.

Accurate pattern center determination has long been a challenge for the electron backscatter diffraction (EBSD) community and is becoming critically accuracy-limiting for more recent advanced EBSD techniques. Here, we study the parameter landscape over which a pattern center must be fitted in quantitative detail and reveal that it is both "sloppy" and noisy, which limits the accuracy to which pattern centers can be determined. To locate the global optimum in this challenging landscape, we propose a combination of two approaches: the use of a global search algorithm and averaging the results from multiple patterns. We demonstrate the ability to accurately determine pattern centers of simulated patterns, inclusive of effects of binning and noise on the error of the fitted pattern center. We also demonstrate the ability of this method to accurately detect changes in pattern center in an experimental dataset with noisy and highly binned patterns. Source code for our pattern center fitting algorithm is available online.