Journal ArticleDOI
Phase-field models in materials science
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TLDR
In this article, the authors reviewed the application of the phase-field method in different fields of materials science, including elastic interactions and fluid flow in multi-grain multi-phase structures in multicomponent materials.Abstract:
The phase-field method is reviewed against its historical and theoretical background. Starting from Van der Waals considerations on the structure of interfaces in materials the concept of the phase-field method is developed along historical lines. Basic relations are summarized in a comprehensive way. Special emphasis is given to the multi-phase-field method with extension to elastic interactions and fluid flow which allows one to treat multi-grain multi-phase structures in multicomponent materials. Examples are collected demonstrating the applicability of the different variants of the phase-field method in different fields of materials science.read more
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Materials discovery and design using machine learning
TL;DR: In this paper, the typical mode of and basic procedures for applying machine learning in materials science are outlined and compared, and the current research status is reviewed with regard to applications of ML in material property prediction, in new materials discovery and for other purposes.
Thermodynamically-consistent phase-field models for solidification
S. L. Wang,Robert F. Sekerka,A. A. Wheeler,Bruce T. Murray,Sam R. Coriell,Richard J. Braun,Geoffrey B. McFadden +6 more
TL;DR: In this article, a class of phase-field models for crystallization of a pure substance from its melt are presented, which are based on an entropy functional, and are therefore thermodynamically consistent inasmuch as they guarantee spatially local positive entropy production.
Journal ArticleDOI
DAMASK – The Düsseldorf Advanced Material Simulation Kit for modeling multi-physics crystal plasticity, thermal, and damage phenomena from the single crystal up to the component scale
Franz Roters,Martin Diehl,Pratheek Shanthraj,Pratheek Shanthraj,Phillip Eisenlohr,C. Reuber,Su Leen Wong,Tias Maiti,A. Ebrahimi,Thomas Hochrainer,Helge-Otto Fabritius,Svetoslav Nikolov,Martin Friák,Martin Friák,Martin Friák,N. Fujita,Nicolò Grilli,K.G.F. Janssens,N. Jia,P. J.J. Kok,Duancheng Ma,Felix Meier,Ewald Werner,Markus Stricker,Daniel Weygand,Dierk Raabe +25 more
TL;DR: The Dusseldorf Advanced Material Simulation Kit (DAMASK) as mentioned in this paper is an open, flexible, and easy to use implementation to the scientific community that allows the use and straightforward implementation of different types of constitutive laws and numerical solvers.
Journal ArticleDOI
Phase field modeling of defects and deformation
Yunzhi Wang,Ju Li +1 more
TL;DR: In this paper, the authors reviewed new perspectives on the phase field approach in modeling deformation and fracture at the fundamental defect level, including the ability to predict fundamental properties of individual defects such as size, formation energy, saddle point configuration and activation energy of defect nuclei, and the micromechanisms of their mutual interactions.
Journal ArticleDOI
Generation of 3D representative volume elements for heterogeneous materials: a review
Swantje Bargmann,Benjamin Klusemann,Benjamin Klusemann,Jürgen Markmann,Jürgen Markmann,Jan Eike Schnabel,Konrad Schneider,Celal Soyarslan,Jana Wilmers +8 more
TL;DR: In this paper, the authors present a systematic classification of representative volume element (RVE) generation techniques for heterogeneous materials, and divide heterogeneous solids into porous and non-porous media.
References
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Journal ArticleDOI
Free Energy of a Nonuniform System. I. Interfacial Free Energy
John W. Cahn,John E. Hilliard +1 more
TL;DR: In this article, it was shown that the thickness of the interface increases with increasing temperature and becomes infinite at the critical temperature Tc, and that at a temperature T just below Tc the interfacial free energy σ is proportional to (T c −T) 3 2.
Journal ArticleDOI
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TL;DR: In this article, a general reciprocal relation applicable to transport processes such as the conduction of heat and electricity, and diffusion, is derived from the assumption of microscopic reversibility, and certain average products of fluctuations are considered.
Book
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W. Kurz,D. J. Fisher +1 more
TL;DR: In this article, Atom Transfer at the Solid/Liquid Interface Morphological Instability of a Solid/ Liquid Interface Solidification Microstructure: Cells and Dendrites SolidificationMicrostructure, Eutectic and Peritectic Solute Redistribution Rapid Solidization Microstructures Summary Appendices Symbols Index
Journal ArticleDOI
Phase-Field Models for Microstructure Evolution
TL;DR: The phase-field method has recently emerged as a powerful computational approach to modeling and predicting mesoscale morphological and microstructure evolution in materials as discussed by the authors, which is able to predict the evolution of arbitrary morphologies and complex microstructures without explicitly tracking the positions of interfaces.
Book
Theory of structural transformations in solids
TL;DR: Theory of structural transformations in solids as mentioned in this paper, Theory of structural transformation of solids, and structural transformation in the solids. But, the structural transformations are not necessarily symmetric.