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Emergent phenomena at complex-oxide interfaces have become a vibrant field of study in the past two decades due to the rich physics and a wide range of possibilities for creating new states of matter and novel functionalities for potential…
Organic-inorganic halide perovskite solar cells have recently attracted much attention due to their low-cost fabrication, flexibility, and high-power conversion efficiency. The reduction from three- to two-dimension (2D) promises an…
In this study atom probe tomography was used to investigate the microstructure of AA2198 (Al-1.35Cu-3.55Li-0.29Mg-0.08Ag) over a range of ageing conditions to examine the evolution of phases in the alloy, in particular aiming to reveal the…
High-energy synchrotron x-rays are used to track grain rotations and the micromechanical evolution of a hexagonal Ti-7Al microstructure as it is cyclically loaded below its macroscopic yield stress. The evolution of the grains through 200…
The combustion of liquid fuels emulsified with water have long generated interest in the internal combustion engine research community. Typically, these fuels consist of small quantities of water emulsified with ultrasonification or other…
We study the nucleation dynamics of a model solid state transformation and the criterion for microstructure selection using a molecular dynamics (MD) simulation. Our simulations show a range of microstructures depending on the depth of…
Aluminium oxide (AlO$_\mathrm{x}$) tunnel junctions are important components in a range of nanoelectric devices including superconducting qubits where they can be used as Josephson junctions. While many improvements in the reproducibility…
Particulate composites underpin many solid-state chemical and electrochemical systems, where microstructural features such as multiphase boundaries and inter-particle connections strongly influence system performance. Advances in X-ray…
We investigate the morphology and energetics of a self-associating model cationic surfactant in water using coarse-grained molecular dynamics simulations. We develop an algorithm to track micelles contours and quantify various…
Optical and electrical properties of two-dimensional transition metal dichalcogenides (TMDCs) grown by chemical vapor deposition (CVD) are strongly determined by their microstructure. Consequently, the visualization of spatial structural…
Two-scale topology optimization, combined with the design of microstructure families with a broad range of effective material parameters, is increasingly widely used in many fabrication applications to achieve a target deformation behavior…
We present a computational microscopy analysis (targeted molecular dynamics simulations) of the structure and performance of conductive metal organic framework (MOF) electrodes in supercapacitors with room temperature ionic liquids. The…
Differentiating structural evolution from structural development or formation opens many avenues of research. The study particularly advances the chemical and physical sciences, material science, energy science, and chemical engineering. By…
We review microstructural fracture growth models suitable for the study of hydraulic fracture processes in disordered porous materials and present some basic results. It is shown that microstructural models exhibit certain similarities to…
Microtubules capture chromosomes during mitosis by stochastically switching between growth and shrinkage at catastrophe events. They display strikingly rich biochemistry and dynamics, regulated by a stabilizing cap with distinct…
Despite the recent progress on two-dimensional multilayer materials (2DMM) with weak interlayer interactions, the investigation on 2DMM with strong interlayer interactions is far from its sufficiency. Here we report on first-principles…
We investigate the dynamics of cellular solidification patterns using three-dimensional phase-field simulations. The cells can organize into stable hexagonal patterns or exhibit unsteady evolutions. We identify the relevant secondary…
Microsegregation-free microstructures can form by solidifying at velocities beyond the absolute stability limit ($V_{\text{abs}}$), where solute partitioning is suppressed by a stable, planar solid-liquid interface. Producing such…
Dynamic recrystallization is one of the main phenomena responsible for microstructure evolutions during hot forming. Consequently, getting a better understanding of DRX mechanisms and being able to predict them is crucial. This paper…
A diffuse-interface model for microstructure with an arbitrary number of components and phases was developed from basic thermodynamic and kinetic principles and formalized within a variational framework. The model includes a composition…