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We present a molecular dynamics based method for computing accurately short-range structural forces resulting from the overlap of spatially diffuse solid-liquid interfaces at wetted grain boundaries close to the melting point. The method is…

Materials Science · Physics 2009-11-13 J. J. Hoyt , David Olmsted , Saryu Jindal , Mark Asta , Alain Karma

We present a new multiphase-field theory for describing pattern formation in multi-domain and/or multi-component systems. The construction of the free energy functional and the dynamic equations is based on criteria that ensure mathematical…

Materials Science · Physics 2015-12-09 Gyula I. Toth , Tamas Pusztai , Laszlo Granasy

We present a phase field model of solidification which includes the effects of the crystalline orientation in the solid phase. This model describes grain boundaries as well as solid-liquid boundaries within a unified framework. With an…

Materials Science · Physics 2009-11-07 Alexander E. Lobkovsky , James A. Warren

The dynamics of sharp interfaces separating two non-hydrostatically stressed solids is analyzed using the idea that the rate of mass transport across the interface is proportional to the thermodynamic potential difference across the…

Materials Science · Physics 2009-11-13 Luiza Angheluta , Espen Jettestuen , Joachim Mathiesen

We derive a phase field crystal model that couples the diffusive evolution of a microscopic structure with the fast dynamics of a macroscopic velocity field, explicitly accounting for the relaxation of elastic excitations. This model…

Materials Science · Physics 2022-10-26 Vidar Skogvoll , Marco Salvalaglio , Luiza Angheluta

Phase field models are powerful tools to tackle free boundary problems. For phase transformations involving diffusion, the evolution of the non conserved phase field is coupled to the evolution of the conserved diffusion field. Introducing…

Materials Science · Physics 2015-06-18 G. Boussinot , Efim A. Brener

Interactions between an evolving solid and inviscid flow can result in substantial computational complexity, particularly in circumstances involving varied boundary conditions between the solid and fluid phases. Examples of such…

Fluid Dynamics · Physics 2022-09-30 Emma M. Schmidt , J. Matt Quinlan , Brandon Runnels

The kinetics of interfaces in alloy solidification pose a classic free boundary problem. This paper introduces an approach that amalgamates the distinctive characteristics of sharp and diffuse interface models. The motion of the diffuse…

Materials Science · Physics 2024-05-31 Chuanqi Zhu , Yuichiro Koizumi

A multi-phase-field model for the description of the discontinuous precipitation reaction is formulated which takes into account surface diffusion along grain boundaries and interfaces as well as volume diffusion. Simulations reveal that…

Materials Science · Physics 2008-09-04 Lynda Amirouche , Mathis Plapp

Phase field models for two-phase flow with a surfactant soluble in possibly both fluids are derived from balance equations and an energy inequality so that thermodynamic consistency is guaranteed. Via a formal asymptotic analysis, they are…

Fluid Dynamics · Physics 2013-03-12 Harald Garcke , Kei Fong Lam , Björn Stinner

We introduce a phase-field method for continuous modeling of cracks with frictional contacts. Compared with standard discrete methods for frictional contacts, the phase-field method has two attractive features: (1) it can represent…

Numerical Analysis · Mathematics 2020-01-29 Fan Fei , Jinhyun Choo

Coherency misfit stresses and their related anisotropies are known to influence the equilibrium shapes of precipitates. Additionally, mechanical properties of the alloys are also dependent on the shapes of the precipitates. Therefore, in…

Materials Science · Physics 2018-08-29 Bhalchandra Bhadak , R. Sankarasubramanian , Abhik Choudhury

A phase-field approach describing the dynamics of a strained solid in contact with its melt is developed. By rigorous asymptotic analysis we show that the sharp-interface limit of this model recovers the continuum model equations for the…

Statistical Mechanics · Physics 2007-05-23 Klaus Kassner , Chaouqi Misbah , Judith Mueller , Jens Kappey , Peter Kohlert

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

Using as a starting point conservation of momentum, a multiphase mechanical energy balance equation is derived that accounts for multiple material phases and interfaces present within a moving control volume. This balance is applied to a…

Fluid Dynamics · Physics 2022-12-26 Dalton J. E. Harvie

A phase-field formulation is introduced to simulate quantitatively microstructural pattern formation in alloys. The thin-interface limit of this formulation yields a much less stringent restriction on the choice of interface thickness than…

Materials Science · Physics 2016-08-31 Alain Karma

Sintering is an important processing step in both ceramics and metals processing. The microstructure resulting from this process determines many materials properties of interest. Hence the accurate prediction of the microstructure,…

Materials Science · Physics 2024-03-06 Marco Seiz , Henrik Hierl , Britta Nestler , Wolfgang Rheinheimer

We study the interface between a solid trapped within a bath of liquid by a suitably shaped non-uniform external potential. Such a potential may be constructed using lasers, external electric or magnetic fields or a surface template. We…

Soft Condensed Matter · Physics 2009-11-13 Abhishek Chaudhuri , Debasish Chaudhuri , Surajit Sengupta

In this work, we extend a phase-field approach for pressurized fractures to non-isothermal settings. Specifically, the pressure and the temperature are given quantities and the emphasis is on the correct modeling of the interface laws…

Numerical Analysis · Mathematics 2019-05-22 Nima Noii , Thomas Wick

A mean-field density-functional model for three-phase equilibria in fluids (or other soft condensed matter) with two spatially varying densities is analyzed analytically and numerically. The interfacial tension between any two out of three…

Statistical Mechanics · Physics 2019-08-14 Kenichiro Koga , Joseph O. Indekeu