相关论文: Parent grain reconstruction from partially or full…
Ptychography is now integrated as a tool in mainstream microscopy allowing quantitative and high-resolution imaging capabilities over a wide field of view. However, its ultimate performance is inevitably limited by the available coherent…
In this work, we extend the recently proposed adaptive phase field method to model fracture in orthotropic functionally graded materials (FGMs). A recovery type error indicator combined with quadtree decomposition is employed for adaptive…
Magnetic vector tomography allows for visualizing the 3D magnetization vector of magnetic nanostructures and multilayers with nanometric resolution. In this work, we present MARTApp (Magnetic Analysis and Reconstruction of Tomographies…
Under extreme operating conditions, characterized by high particle multiplicity and heavily overlapping shower energy deposits, classical particle flow algorithms encounter pronounced limitations in resolution, efficiency, and accuracy. To…
Various machine learning models have been used to predict the properties of polycrystalline materials, but none of them directly consider the physical interactions among neighboring grains despite such microscopic interactions critically…
Digital breast tomosynthesis is rapidly replacing digital mammography as the basic x-ray technique for evaluation of the breasts. However, the sparse sampling and limited angular range gives rise to different artifacts, which manufacturers…
Magnetic resonance imaging (MRI) plays a vital role in clinical diagnostics, yet it remains hindered by long acquisition times and motion artifacts. Multi-contrast MRI reconstruction has emerged as a promising direction by leveraging…
This study addresses microstructure selection mechanisms in rapid solidification, specifically targeting the transition from cellular/dendritic to planar interface morphologies under conditions relevant to additive manufacturing. We use a…
Electrical iron silicon steel is the most commonly used soft magnetic material in electrical energy conversion and transmission, and its demand is expected to increase with the need for electrification of the transportation sector and the…
Reversible martensitic transformations (MTs) are the origin of many fascinating phenomena, including the famous shape memory effect. In this work, we present a fully ab initio procedure to characterize MTs in alloys and to assess their…
Integrated computational materials engineering (ICME) has significantly enhanced the systemic analysis of the relationship between microstructure and material properties, paving the way for the development of high-performance materials.…
Photoelastic techniques have a long tradition in both qualitative and quantitative analysis of the stresses in granular materials. Over the last two decades, computational methods for reconstructing forces between particles from their…
Metasurfaces have become a cornerstone of flat-optics, enabling precise control over light propagation through nanoengineered materials. Dynamic and reconfigurable metalenses are key to next-generation flat-optics platforms, yet their…
We present MXtalTools, a flexible Python package for the data-driven modelling of molecular crystals, facilitating machine learning studies of the molecular solid state. MXtalTools comprises several classes of utilities: (1) synthesis,…
Residual stress engineering is very widely used in the design of new advanced lightweight materials. For metallic glasses the attention has been on structural changes and rejuvenation processes. High energy scanning X-ray diffraction strain…
To overcome the brittleness limitation of ceramics, various toughening mechanisms have been proposed. Some of the most remarkable, especially for oxides, include the tetragonal-to-monoclinic phase transformation leading to crack shielding…
We introduce a novel machine learning computational framework that aims to compute the material toughness, after subjected to a short training process on a limited meso-scale experimental dataset. The three part computational framework…
Optimizing the synthesis of zeolites and exploring novel frameworks offer pivotal opportunities and challenges in materials design. While inverse design proves highly effective for simpler crystals, its application to intricate structures…
Phase reconstruction is important in transmission electron microscopy for structural studies. We describe electron Fourier ptychography and its application to phase reconstruction of both radiation-resistant and beam-sensitive materials. We…
Exploring the dynamical response of mechanical metamaterials has gathered increasing attention in the last decades, enabling the design of microstructures exotically interacting with elastic waves (focusing, channeling, band-gaps, negative…