Related papers: Effective structural unit analysis in hexagonal cl…
A versatile generic framework for parent grain reconstruction from fully or partially transformed child microstructures was integrated into the open-source crystallographic toolbox MTEX. The framework extends traditional parent grain…
Emerging microstructural characterization methods have received increased attention owing to their promise of relatively inexpensive and rapid measurement of polycrystalline surface morphology and crystallographic orientations. Among these…
Thermomechanical controlled processing (TMCP) is widely used to optimize the final properties of high strength low alloy (HSLA) steels, via microstructure engineering. The room temperature microstructures are influenced by the high…
Understanding deformation in polycrystalline metals is critical to use them in high-value high-risk applications. We present in-situ characterisation of plastic deformation of zirconium, a hexagonal closed packed (HCP), metal. Analysis of…
Statistics of grain sizes and orientations in metals correlate to the material's mechanical properties. Reproducing representative volume elements for further analysis of deformation and failure in metals, like 316L stainless steel, is…
We introduce a cluster-based technique to automate pixel-wise reconstruction of $\beta$ orientations from parent $\alpha$ orientations over large, indexed regions. This approach provides a valuable tool for analyzing problems that require…
This study details the development and validation of a new algorithm that determines the dominant habit plane of a transformed child phase from orientation maps of a single planar cross-section. The method describes the habit plane in terms…
We propose an algorithm for the computational homogenization of locally periodic hyperelastic structures undergoing large deformations due to external quasi-static loading. The algorithm performs clustering of macroscopic deformations into…
Correlated analysis of (sub)grains and particles in alloys is important to understand transformation processes and control material properties. A multimodal data fusion workflow directly combining subgrain data from electron backscatter…
Twenty-one distinct AlxCoCrFeNi alloys were rapidly prepared by laser alloying an equiatomic CoCrFeNi substrate with Al powder to create an alloy library ranging x=0.15-1.32. Variations in crystal structure, microstructure and mechanical…
The versatile physical properties of heterogeneous materials are intimately related to their complex microstructures, which can be statistically characterized and modelled using various spatial correlation functions containing key…
We study the inverse problem of tuning interaction parameters between charged colloidal particles interacting with a hard-core repulsive Yukawa potential, so that they assemble into specified crystal structures. Here, we target the…
The solid diffusive phase transformation involving the nucleation and growth of one nucleus is universal and frequently employed but has not yet been fully understood at the atomic level. Here, our first-principles calculations reveal a…
Thermomechanical Controlled Processing (TMCP) is widely used to control the microstructure and properties of linepipe or high strength low alloy steels (HSLA). These steels are often joined by welding and used in demanding environments such…
Homogeneous nucleation process of polyethylene (PE) is studied with full-atom molecular dynamic simulation. To account the complex shape with low symmetry and the peculiar intra-chain conformational order of polymer, we introduce a shape…
Crystal structures of simple metals and binary alloy phases based on the close-packed hexagonal structure are analyzed within the model of Fermi sphere-Brillouin zone interactions to understand distortions and superlattices. Examination of…
We quantify the rigidity of branching microstructures in shape memory alloys undergoing cubic-to-tetragonal transformations in the geometrically linearized theory by making use of Tartar's H-measures. The main result is a…
The recrystallized grain size and texture in alloys can be controlled via the microchemistry state during thermomechanical processing. The influence of concurrent precipitation on recovery and recrystallization is here analyzed by directly…
Molecular dynamics simulations using empirical force fields (EFFs) are crucial for gaining fundamental insights into atomic structure and long timescale dynamics of Au nanoclusters with far-reaching applications in energy and devices. This…
The variant graph is a new, hybrid algorithm that combines the strengths of established global grain graph and local neighbor level voting approaches, while alleviating their shortcomings, to reconstruct parent grains from orientation maps…