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The effectiveness of machine learning in metallographic microstructure segmentation is often constrained by the lack of human-annotated phase masks, particularly for rare or compositionally complex morphologies within the metal alloy. We…
We develop and demonstrate the first general computational tool for finite deformation static and dynamic dislocation mechanics. A finite element formulation of finite deformation (Mesoscale) Field Dislocation Mechanics theory is presented.…
We present a hybrid mimetic finite-difference and virtual element formulation for coupled single-phase poromechanics on unstructured meshes. The key advantage of the scheme is that it is convergent on complex meshes containing highly…
Amorphization during severe plastic deformation has been observed in various crystalline materials, yet its underlying mechanisms remain poorly understood. This study introduces a novel phase-field model at the mesoscale, integrating…
A comprehensive modeling and simulation study of the first-order isotropic/smectic-A transition is presented and applied to phase diagram computation and two-dimensional spherulite growth. An approach based on nonlinear optimization, that…
Phase interfaces in melting and solidification processes are strongly affected by the presence of convection in the liquid. One way of modeling their transient evolution is to couple an incompressible flow model to an energy balance in…
A phase-field crystal model based on the density-field approach incorporating high-order interparticle direct correlations is developed to study vapor-liquid-solid coexistence and transitions within a single continuum description.…
Phase-field simulations of the martensitic transformation (MT) in the austenitic matrix, which has already undergone the plastic deformation, are carried out. For this purpose the elasto-plastic phase-field approach of incoherent MT…
This work presents a multi-level modeling and design framework for weft knitted fabrics, beginning with a volumetric finite element analysis capturing their mechanical behavior from fundamental principles. Incorporating yarn-level data, it…
Understanding the microstuctural evolution during the sintering process is of high relevance as it is a key part in many industrial manufacturing processes. Simulations are one avenue to achieve this understanding, especially field-resolved…
We consider a sharp interface formulation for an anisotropic multi-phase Mullins-Sekerka problem with kinetic undercooling. The flow is characterized by a cluster of surfaces evolving such that the total surface energy plus a weighted sum…
During phase transitions certain properties of a material change, such as composition field and lattice-symmetry distortions. These changes are typically coupled, and affect the microstructures that form in materials. Here, we propose a 2D…
The phase-field crystal (PFC) model describes crystal structures at diffusive timescales through a periodic, microscopic density field. It has been proposed to model elasticity in crystal growth and encodes most of the phenomenology related…
High power lasers are used for a variety of manufacturing processes on time and length scales that cover many orders of magnitude and on different materials. The variety of processes achievable through laser-material interaction results…
Atomic layer deposition allows for precise control over film thickness and conformality. It is a critical enabler of high aspect ratio structures, such as 3D NAND memory, since its self-limiting behavior enables higher conformality than…
Specialized Monte Carlo simulation techniques and moment free energy method calculations, capable of treating fractionation exactly, are deployed to study the crystalline phase behaviour of an assembly of spherical particles described by a…
A general model is formulated for elasto-plastic materials undergoing linear kinematic hardening to describe microstructure evolution associated with phase transformations. Using infinitesimal strain theory, the model is based on…
We investigate a family of phase field models for simulating dendritic growth of a pure supercooled substance. The central object of interest is the reaction term in the Allen-Cahn equation, which is responsible for spatial distribution of…
We present a deformable Discrete Element Method (DEM) that extends the classical rigid-particle formulation through a reduced-order description of elastic grain-scale deformation. The method hinges on two developments. First, an energetic…
Melting and solidification processes are often affected by natural convection of the liquid, posing a multi-physics problem involving fluid flow, convective and diffusive heat transfer, and phase-change reactions. Enthalpy methods formulate…