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Modulated phases occur in numerous functional materials like giant ferroelectrics and magnetic shape memory alloys. To understand the origin of these phases, we review and generalize the concept of adaptive martensite. As a starting point,…
We identify effective models for thin, linearly elastic and perfectly plastic plates exhibiting a microstructure resulting from the periodic alternation of two elastoplastic phases. We study here both the case in which the thickness of the…
Materials-by-design has been historically challenging due to complex process-microstructure-property relations. Conventional analytical or simulation-based approaches suffer from low accuracy or long computational time and poor…
Integrated Computational Materials Engineering (ICME) aims to accelerate optimal design of complex material systems by integrating material science and design automation. For tractable ICME, it is required that (1) a structural feature…
Large-scale 3D martensitic microstructure evolution problems are studied using a finite-element discretization of a finite-strain phase-field model. The model admits an arbitrary crystallography of transformation and arbitrary elastic…
This study addresses ductile fracture of single grains in metals by modeling of the formation and propagation of transgranular cracks. A proposed model integrates gradient extended hardening, phase-field modeling for fracture, and crystal…
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…
Electronic band structure (BS) and crystal structure are the two complementary identifiers of solid state materials. While convenient instruments and reconstruction algorithms have made large, empirical, crystal structure databases…
We demonstrate a facile method to produce crystallographically textured, macroporous materials using a combination of modified ice templating and templated grain growth (TGG). The process is demonstrated on alumina and the lead-free…
Coherent imaging techniques such as ptychography offer powerful capabilities for 3D resolution of nanoscale structures. By application in grazing incidence, such techniques may achieve exceptional surface sensitivity as demonstrated by…
While the microscopic structure of defected solid crystalline materials has significant impact on their physical properties, efficient and accurate determination of a given polycrystalline microstructure remains a challenge. In this paper…
Microstructure reconstruction is a key enabler of process-structure-property linkages, a central topic in materials engineering. Revisiting classical optimization-based reconstruction techniques,they are recognized as a powerful framework…
Resolving how defects emerge and interact within the hierarchical structure of polycrystalline materials remains a core challenge in materials science. Grain-mapping methods such as three-dimensional X-ray diffraction (3DXRD) and…
We devised a general heterogeneous microstructural design methodology applied to a specific material system, elasto-electro-active piezoelectric ceramic embedded plastics, which has great potential in sensing, 5G communication, and energy…
This paper puts forward an integrated microstructure design methodology that replaces the common existing design approaches: 1) reconstruction of microstructures, 2) analyzing and quantifying material properties, and 3) inverse design of…
We investigate the effect of the microstructure on the mechanical response of lattice structures made of a defect tolerant Ti-14 Mo binary alloy fabricated by Electron Powder Bed Fusion. Some of the lattice structures were subjected to…
Although the principal physical behaviour of a material is inherently connected to its fundamental crystal structure, the behaviours observed in the real-world are often driven by the microstructure, which for many polycrystalline…
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…
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…
Cofactor Conditions (CCs) are geometric compatibility conditions mathematically derived from the crystallographic theory of martensitic phase transformation. The CCs guarantee compatible interfaces between the austenite and the parallelled…