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Atomistic computer simulations are applied to investigate the atomic structure, thermal stability, and diffusion processes in Al-Si interphase boundaries as a prototype of metal-ceramic interfaces in composite materials. Some of the most…

Materials Science · Physics 2023-08-24 Ian Chesser , Raj Koju , Akshay Vellore , Yuri Mishin

The interactions between dislocations and interface/grain boundaries, including dislocation absorption, transmission, and reflection, have garnered significant attention from the research community for their impact on the mechanical…

Applied Physics · Physics 2023-09-29 Jinxin Yu , Alfonso H. W. Ngan , David J. Srolovitz , Jian Han

We provide a theoretical framework to analyze the properties of frontal collisions of two growing interfaces considering different short range interactions between them. Due to their roughness, the collision events spread in time and form…

Statistical Mechanics · Physics 2019-02-05 Fabio D. A. Aarao Reis , Olivier Pierre-Louis

Atomically thin 2-dimensional heterostructures are a promising, novel class of materials with groundbreaking properties. The possiblity of choosing the many constituent components and their proportions allows optimizing these materials to…

Mesoscale and Nanoscale Physics · Physics 2019-10-23 Petri Hirvonen , Vili Heinonen , Haikuan Dong , Zheyong Fan , Ken R. Elder , Tapio Ala-Nissila

A phase-field model that allows for quantitative simulations of low-speed eutectic and peritectic solidification under typical experimental conditions is developed. Its cornerstone is a smooth free-energy functional, designed so that the…

Materials Science · Physics 2009-11-11 R. Folch , M. Plapp

In this study, we address damage initiation and micro-crack formation in ductile failure of polycrystalline metals. We show how our recently published thermodynamic framework for ductile phase-field fracture of single crystals can be…

Numerical Analysis · Mathematics 2024-11-01 Kim Louisa Auth , Jim Brouzoulis , Magnus Ekh

Voids develop in crystalline materials under energetic particle irradiation, as in nuclear reactors. Understanding the underlying mechanisms of void nucleation and growth is of utmost importance as it leads to dimensional instability of the…

Materials Science · Physics 2024-05-24 Sreekar Rayaprolu , Kyle Starkey , Anter El-Azab

Grain structure plays a key role in the mechanical properties of alloy materials. Engineering the grain structure requires a comprehensive understanding of the evolution of grain boundaries (GBs) when a material is subjected to various…

Materials Science · Physics 2021-10-26 Junyan He , Nikhil Chandra Admal

Interfaces play critical roles in materials, and are usually both structurally and compositionally complex microstructural features. The precise characterization of their nature in three-dimensions at the atomic-scale is one of the grand…

Diffuse-interface theory provides a foundation for the modeling and simulation of microstructure evolution in a very wide range of materials, and for the tracking/capturing of dynamic interfaces between different materials on larger scales.…

Computational Physics · Physics 2018-08-03 Zhijie Xu , Paul Meakin , Alexandre Tartakovsky

We continue the variational study of the discrete-to-continuum evolution of lattice systems of Blume-Emery-Griffith type which model two immiscible phases in the presence of a surfactant. In our previous work \cite{CFS}, we analyzed the…

Analysis of PDEs · Mathematics 2025-12-30 Marco Cicalese , Giuliana Fusco , Giovanni Savaré

The phase-field-crystal model is used to access the structure and thermodynamics of interfaces between two coexisting liquid crystalline phases in two spatial dimensions. Depending on the model parameters there is a variety of possible…

Soft Condensed Matter · Physics 2014-01-28 Simon Praetorius , Axel Voigt , Raphael Wittkowski , Hartmut Löwen

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

There are various methods for modeling phase transformations in materials science, including general classes of phase-field methods and reactive diffusion methodologies, which most importantly differ in their treatment of interface energy.…

The internal energy associated with the defect microstructure of strongly deformed crystals provides an important driving force for grain boundary motion during recrystallization. Typical dislocation microstructures are strongly…

Materials Science · Physics 2026-01-13 Yufan Zhang , Michael Zaiser

The presence of interfaces and grain boundaries significantly impacts the mechanical properties of materials, particularly when dealing with micro- or nano-scale samples. Distinct interactions between dislocations and grain boundaries can…

Materials Science · Physics 2025-05-08 Jinxin Yu , Alfonso H. W. Ngan , David J. Srolovitzb , Jian Hana

The dynamics of an interface between the normal and superconducting phases under nonstationary external conditions is studied within the framework of the time-dependent Ginzburg-Landau equations of superconductivity, modified to include…

Condensed Matter · Physics 2009-10-22 Alan T. Dorsey

We consider a kinetic model of two species of particles interacting with a reservoir at fixed temperature, described by two coupled Vlasov-Fokker-Plank equations. We prove that in the diffusive limit the evolution is described by a…

Statistical Mechanics · Physics 2015-06-25 Guido Manzi , Rossana Marra

Intergranular fracture in polycrystals is often simulated by finite elements coupled to a cohesive-zone model for the interfaces, requiring cohesive laws for grain boundaries as a function of their geometry. We discuss three challenges in…

Conventional phase-field models often drive solid-solid interfaces to coalesce when in close proximity. This feature limits their use for processes like diffusion bonding, where the interfaces might need to remain distinct under certain…

Materials Science · Physics 2026-02-20 Maryam Khodadad , Noel Walkington , Suresh Kalyanam , Matteo Pozzi , Kaushik Dayal