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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…

We consider the problem of heterogeneous nucleation and growth. The system is described by a phase field model in which the temperature is included through thermal noise. We show that this phase field approach is suitable to describe…

Statistical Mechanics · Physics 2009-11-07 Mario Castro

Ice-templating is a well-established processing route for porous ceramics. Because of the structure/properties relationships, it is essential to better understand and control the solidification microstructures. Ice-templating is based on…

Soft Condensed Matter · Physics 2017-12-22 Dmytro Dedovets , Sylvain Deville

This paper presents an extension of the discrete element method using a phase-field formulation to incorporate grain shape and its evolution. The introduction of a phase variable enables an effective representation of grain geometry and…

Materials Science · Physics 2024-04-09 Alexandre Sac-Morane , Manolis Veveakis , Hadrien Rattez

A multi-phase field model is employed to study the microstructural evolution of an alloy undergoing liquid dealloying. The model proposed extends upon the original approach of Geslin et al. to consider dealloying in the presence of grain…

Materials Science · Physics 2023-08-07 Nathan Bieberdorf , Mark D. Asta , Laurent Capolungo

In this work, a numerical simulation framework is presented based on the Phase Field Method that is able to capture the evolution of heterogeneous metallic microstructures during solidification. The involved physics can prove especially…

Materials Science · Physics 2021-10-22 Patrick Zimbrod , Johannes Schilp

Results are presented from numerical experiments aiming at the computation of stochastic phase-field models for phase transformations by coarse-graining molecular dynamics. The studied phase transformations occur between a solid crystal and…

Numerical Analysis · Mathematics 2009-08-11 Erik von Schwerin

Residual stress and plastic strain in additive manufactured materials can exhibit significant microscopic variation at the powder scale, profoundly influencing the overall properties of printed components. This variation depends on…

Materials Science · Physics 2024-06-19 Yangyiwei Yang , Somnath Bharech , Nick Finger , Xiandong Zhou , Joerg Schroeder , Bai-Xiang Xu

The phase-field method is reviewed from the general perspective of converting a free boundary problem into a set of coupled partial differential equations. Its main advantage is that it avoids front tracking by using phase fields to locate…

We investigate dendritic sidebranching during crystal growth in an undercooled melt by simulation of a phase-field model which incorporates thermal noise of microscopic origin. As a non-trivial quantitative test of this model, we first show…

Materials Science · Physics 2009-10-31 Alain Karma , Wouter-Jan Rappel

The evolution of interfaces is intrinsic to many physical processes ranging from cavitation in fluids to recrystallization in solids. Computational modeling of interface motion entails a number of challenges, many of which are related to…

Materials Science · Physics 2022-07-26 Erdem Eren , Brandon Runnels , Jeremy Mason

The phase-field model for the description of the solidification processes with the glass-crystal competition is suggested. The model combines the first-order phase transition model in the phase-field formalism and gauge-field theory of…

Materials Science · Physics 2024-08-07 M. G. Vasin , V. Ankudinov

The microwave sintering homogeneity of large and complex shape specimens is analyzed. A new approach enabling the fabrication of complex shapes ceramics via 3D printing and microwave sintering is presented. The use of a dental microwave…

Materials Science · Physics 2020-11-26 Charles Manière , Shirley Chan , Eugene A. Olevsky

We review our recent modeling of crystal nucleation and polycrystalline growth using a phase field theory. First, we consider the applicability of phase field theory for describing crystal nucleation in a model hard sphere fluid. It is…

Soft Condensed Matter · Physics 2007-05-23 L. Granasy , T. Pusztai , T. Borzsonyi

The present paper describes the development of a novel and comprehensive computational framework to simulate solidification problems in materials processing, specifically casting processes. Heat transfer, solidification and fluid flow due…

Numerical Analysis · Computer Science 2020-10-06 Shantanu Shahane , Narayana Aluru , Placid Ferreira , Shiv G Kapoor , Surya Pratap Vanka

In this paper the relationship between the density functional theory of freezing and phase field modeling is examined. More specifically a connection is made between the correlation functions that enter density functional theory and the…

Materials Science · Physics 2007-05-23 K. R. Elder , Nikolas Provatas , Joel Berry , Peter Stefanovic , Martin Grant

For the fatigue life of thin-walled components, not only fatigue crack initiation, but also crack growth is decisive. The phase-field method for fracture is a powerful tool to simulate arbitrary crack phenomena. Recently, it has been…

Materials Science · Physics 2021-04-07 Martha Seiler , Sören Keller , Nikolai Kashaev , Benjamin Klusemann , Markus Kästner

Microstructures forming during ternary eutectic directional solidification processes have significant influence on the macroscopic mechanical properties of metal alloys. For a realistic simulation, we use the well established…

Distributed, Parallel, and Cluster Computing · Computer Science 2015-06-05 Martin Bauer , Johannes Hötzer , Philipp Steinmetz , Marcus Jainta , Marco Berghoff , Florian Schornbaum , Christian Godenschwager , Harald Köstler , Britta Nestler , Ulrich Rüde

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

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