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The multi-phase-field approach is generalized to treat capillarity-driven diffusion parallel to the surfaces and phase-boundaries, i.e. the boundaries between a condensed phase and its vapor and the boundaries between two or multiple…

Mesoscale and Nanoscale Physics · Physics 2017-07-19 Raphael Schiedung , Reza Darvishi Kamachali , Ingo Steinbach , Fathollah Varnik

In this paper the evolution of a binary mixture in a thin-film geometry with a wall at the top and bottom is considered. By bringing the mixture into its miscibility gap so that no spinodal decomposition occurs in the bulk, a slight…

Segregation to grain boundaries affects their cohesion, corrosion and embrittlement and plays a critical role in heterogeneous nucleation. In order to quantitatively study segregation and phase separation at grain boundaries, we derive a…

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.…

Materials Science · Physics 2020-10-21 Zi-Le Wang , Zhirong Liu , Zhi-Feng Huang , Wenhui Duan

In this paper the development of a physically consistent phase-field theory of solidification shrinkage is presented. The coarse-grained hydrodynamic equations are derived directly from the N-body Hamiltonian equations in the framework of…

Materials Science · Physics 2020-02-28 Gyula I. Toth , Wenyue Ma

Rapid solidification experiments on thin film aluminum samples reveal the presence of lattice orientation gradients within crystallizing grains. To study this phenomenon, a single-component phase-field crystal (PFC) model that captures the…

We present a detailed derivation and thin interface analysis of a phase-field model that can accurately simulate microstructural pattern formation for low-speed directional solidification of a dilute binary alloy. This advance with respect…

Materials Science · Physics 2009-11-10 Blas Echebarria , Roger Folch , Alain Karma , Mathis Plapp

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

In numerous solution-processed thin films, a complex morphology resulting from liquid-liquid phase separation (LLPS) or from polycrystallization arises during the drying or subsequent processing steps. The morphology has a strong influence…

Applied Physics · Physics 2022-06-28 Olivier J. J. Ronsin , Jens Harting

In the manufacturing process of high-performance particulate materials, viscous sintering plays a crucial role, particularly in fields such as polymer processing and additive manufacturing. The interactions between microscopic particles,…

Computational Engineering, Finance, and Science · Computer Science 2024-12-06 Xiaoxu Dai , Bo Qian , Arkadz Kirshtein , Qingcheng Yang

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

We characterize both analytically and numerically short-range forces between spatially diffuse interfaces in multi-phase-field models of polycrystalline materials. During late-stage solidification, crystal-melt interfaces may attract or…

Materials Science · Physics 2015-05-14 N. Wang , R. Spatschek , A. Karma

A phase-field approach to the dynamics of liquid-solid interfaces that evolve due to precipitation and/or dissolution is presented. For the purpose of illustration and comparison with other methods, phase field simulations were carried out…

Computational Physics · Physics 2018-07-04 Zhijie Xu , Paul Meakin

Within self-consistent field theory we study the phase behavior of a symmetrical binary AB polymer blend confined into a thin film. The film surfaces interact with the monomers via short range potentials. One surface attracts the A…

Statistical Mechanics · Physics 2007-05-23 M. Mueller , K. Binder , E. V. Albano

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

A multiscale scheme combining molecular dynamics (MD) and microscopic phase-field theory is proposed to study the structural phase transformations in solids with inhomogeneous strain field. The approach calculates strain response based on…

Materials Science · Physics 2007-05-23 Zhi-Rong Liu , Huajian Gao

We review how phase-field models contributed to the understanding of various aspects of crystal nucleation including homogeneous and heterogeneous processes, and their role in microstructure evolution. We recall results obtained both by the…

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

A coupled phase-field and hydrodynamic model is introduced to describe a two-phase, weakly compressible smectic (layered phase) in contact with an isotropic fluid of different density. A non-conserved smectic order parameter is coupled to a…

Soft Condensed Matter · Physics 2022-02-02 Eduardo Vitral , Perry H. Leo , Jorge Viñals

Systematic microstructure design requires reliable thermodynamic descriptions of each and all microstructure elements. While such descriptions are well established for most bulk phases, thermodynamic assessment of crystal defects is…

Materials Science · Physics 2021-07-02 Reza Darvishi Kamachali