Related papers: Effective structural unit analysis in hexagonal cl…
A complex study of aging kinetics for both coarse-grained and nanostructured by severe plastic deformation Cu -- 2 wt% Be alloy is reported. It is shown that aging of a coarse-grained alloy leads to continuous formation of nanosized CuBe…
We present kikuchipy, an open-source toolbox for analysis of electron backscatter diffraction patterns, written in Python. The software is capable of both Hough and dictionary indexing and orientation and/or projection center refinement of…
Accurate grain orientation mapping is essential for understanding and optimizing the performance of polycrystalline materials, particularly in energy-related applications. Lithium nickel oxide (LiNiO$_{2}$) is a promising cathode material…
For high (angular) resolution electron backscatter diffraction (HR-EBSD), the selection of a reference diffraction pattern (EBSP0) significantly affects the precision of the calculated strain and rotation maps. This effect was demonstrated…
Electronic correlation and reconstruction are two important factors that play a critical role in shaping the magnetic and electronic properties of correlated low-dimensional systems. Here, we report a competition between the electronic…
The physics programme of the LHCb experiment at the Large Hadron Collider requires an efficient and precise reconstruction of the particle collision vertices. The LHCb Upgrade detector relies on a fully software-based trigger with an online…
We elucidated the core structure of screw dislocations in ordered B2 FeCo using a recent magnetic bond-order potential (BOP) [Egorov et al., Phys. Rev. Mater. 7, 044403 (2023)]. We corroborated that dislocations in B2 FeCo exist in pairs…
Microscopic models of the interaction between grain boundaries (GBs) and both dislocations and cracks are of importance in understanding the role of microstructure in altering the mechanical properties of a material. A recently developed…
Bimetallic nanoparticles are widely studied, for example in catalysis. However, possible restructuring in the environment of use, such as segregation or alloying, may occur. Taken individually, state-of-the-art analytical tools fail to give…
In this article, we demonstrate a method for inducing reversible crystal-to-crystal transitions in binary mixtures of soft colloidal particles. Through a controlled decrease of salinity and increasingly dominating electrostatic…
Metals are important structural materials for transport and the built environment. Low carbon steels can fail through strain localisation due to the role of interstitial solute atoms (such as carbon and nitrogen) interacting with mobile…
Co-reduction of multicomponent oxides with hydrogen provides a carbon-neutral approach toward sustainable alloy design. Herein, we investigate the hydrogen-based direct reduction, using in-situ high-energy X-ray diffraction of two precursor…
Understanding the phase transformation pathways (PTPs) and microstructural evolution in multi-phase HEAs will aid alloy and process designs to tailor the microstructures for specific engineering applications. In this work, we study…
Controlling microstructure in fusion-based metal additive manufacturing (AM) remains a challenge due to numerous parameters directly impacting solidification conditions. Multiprincipal element alloys (MPEAs) offer a vast compositional…
Within a first principles framework, we study the electronic structure of the recently synthesized polymeric coordination compound Cu(II)-2,5-bis(pyrazol-1-yl)-1,4-dihydroxybenzene (CuCCP), which has been suggested to be a good realization…
Improving charge carrier mobilities in organic semiconductors is a challenging task that has hitherto primarily been tackled by empirical structural tuning of promising core compounds. Knowledge-based methods can greatly accelerate such…
Additive manufacturing (AM) of metallic components promises many advantages over conventional manufacturing processes through high design flexibility across multiple length scales and precision coupled with an astonishing combination of…
Basic block reordering is an important step for profile-guided binary optimization. The state-of-the-art goal for basic block reordering is to maximize the number of fall-through branches. However, we demonstrate that such orderings may…
Cooperative growth of the structure units (SUs) in a 14H type long-period stacking ordered (LPSO) structure has been observed, and there is no obvious accumulation of transformation strain at the growth fronts. The atomic structures at this…
The dynamical model of forming of martensitic crystals for the bcc-hcp transition is offered. It is shown that all macroscopic morphological characters (the habit plane, the macroshear and the orientational relationship) are expressed…