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This study proposes a new full-field approach for modeling grain boundary pinning by second phase particles in two-dimensional polycrystals. These particles are of great importance during thermomechanical treatments, as they produce…

Computational Engineering, Finance, and Science · Computer Science 2025-01-22 Sebastian Florez , Marc Bernacki

At very fine grain sizes, grain boundary segregation can deviate from conventional behavior due to triple junction effects. While this issue has been addressed in prior work for substitutional alloys, here we develop a framework that…

Materials Science · Physics 2024-11-28 Nutth Tuchinda , Malik Wagih , Christopher A. Schuh

We report significantly improved accuracy of grain boundary segmentation using Convolutional Neural Networks (CNN) trained on a combination of real and generated data. Manual segmentation is accurate but time-consuming, and existing…

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…

Materials Science · Physics 2011-07-28 Daniel A. Cogswell , W. Craig Carter

Grain boundaries play a critical role in applications of superconducting Nb$_3$Sn: in dc applications, grain boundaries preserve the material's inherently high critical current density by pinning flux, while in ac applications grain…

Materials Science · Physics 2020-11-12 Michelle M. Kelley , Nathan S. Sitaraman , Tomás A. Arias

Grain growth simulation is crucial for predicting metallic material microstructure evolution during annealing and resulting final mechanical properties, but traditional partial differential equation-based methods are computationally…

Materials Science · Physics 2025-05-09 Pungponhavoan Tep , Marc Bernacki

Percolation in systems made up of randomly placed impermeable grains is often examined in the context of system spanning clusters of connected solids forming above a relatively low critical grain density $\rho_{c1}$ or networks of…

Disordered Systems and Neural Networks · Physics 2025-10-10 D. J. Priour

Grain boundaries often exhibit ordered atomic structures. Increasing amounts of evidence have been provided by transmission electron microscopy and atomistic computer simulations that different stable and metastable grain boundary…

Materials Science · Physics 2023-02-14 Tobias Brink , Lena Langenohl , Hanna Bishara , Gerhard Dehm

The interplay between the diffusion-controlled dynamics of a solidification front and the trajectory of a grain boundary groove at the solid-liquid interface is studied by means of thin-sample directional solidification experiments of a…

It is now widely accepted that grain boundaries play a critical role in the performance and reliability of solid-state batteries with lithium metal anodes. Understanding and controlling grain boundaries is essential for enabling safe,…

Materials Science · Physics 2026-03-10 Md Salman Rabbi Limon , Abrar Fahim Navid , Curtis Wesley Duffee , Zeeshan Ahmad

Solute segregation in materials with grain boundaries (GBs) has emerged as a popular method to thermodynamically stabilize nanocrystalline structures. However, the impact of varied GB crystallographic character on solute segregation has…

Materials Science · Physics 2025-03-10 Lydia Harris Serafin , Ethan R. Cluff , Gus L. W. Hart , Eric R. Homer

The grain boundary (GB) microchemistry and precipitation behaviour in high-strength Al-Zn-Mg-Cu alloys has an important influence on their mechanical and electrochemical properties. Simulation of the GB segregation, precipitation, and…

Solute decoration at grain boundaries (GB) leads to a number of phenomenon such as changes in interface structure,mobility,cohesion etc.Recent experimental investigations on interfacial segregation in steels are based on microstructural…

Materials Science · Physics 2022-03-01 Mainak Saha

In alloys, solute segregation at grain boundaries is classically attributed to three driving forces: a high solution enthalpy, a high size mismatch, and a high difference in interfacial energy. These effects are generally cast into a single…

Materials Science · Physics 2024-01-23 Malik Wagih , Yannick Naunheim , Tianjiao Lei , Christopher A. Schuh

A mesoscopic grain-envelope model applying a phase-field front-propagation method is developed to simulate grain growth under additive manufacturing process conditions. The envelope represents the outer surface of dendritic grains through a…

Materials Science · Physics 2026-03-10 Murali Uddagiri , Pankaj Antala , Ingo Steinbach

Austenitic 347H stainless steel offers superior mechanical properties and corrosion resistance required for extreme operating conditions such as high temperature. The change in microstructure due to composition and process variations is…

The control of solute segregation at grain boundaries (GBs) is essential in engineering alloy properties, however the structure-activity relationship of the key parameter-the segregation energies-still remains elusive. Here we propose the…

Materials Science · Physics 2022-10-20 Xin Li , Wang Gao , Qing Jiang

Phase transformations and crystallographic defects are two essential tools to drive innovations in materials. Bulk materials design via tuning chemical compositions has been systematized using phase diagrams. We show here that the same…

We present theoretical analyses and numerical simulations for the adhesion-induced phase separation of multi-component membranes with two types of ligand-receptor complexes (junctions). We show that after integrating all possible…

Soft Condensed Matter · Physics 2007-05-23 Jia-Yuan Wu

New insights into phase separation in colloidal suspensions are provided via a new dynamical theory based on the Polydisperse Lattice-Gas model. The model gives a simplified description of polydisperse colloids, incorporating a hard-core…

Soft Condensed Matter · Physics 2017-08-03 Pablo de Castro , Peter Sollich