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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 novel type of photonic crystal formed by embedding a periodic array of constituent stacks of alternating graphene and dielectric discs into a background dielectric medium is proposed. The photonic band structure and transmittance of such…

Mesoscale and Nanoscale Physics · Physics 2010-12-21 Oleg L. Berman , Vladimir S. Boyko , Roman Ya. Kezerashvili , Anton A. Kolesnikov , Yurii E. Lozovik

Efficiently generating energetically stable crystal structures has long been a challenge in material design, primarily due to the immense arrangement of atoms in a crystal lattice. To facilitate the discovery of stable material, we present…

Artificial Intelligence · Computer Science 2025-09-30 Zhelin Li , Rami Mrad , Runxian Jiao , Guan Huang , Jun Shan , Shibing Chu , Yuanping Chen

By using a phase-field crystal (PFC) model, the liquid-crystal growth of the plastic triangular phase is simulated with emphasis on crystal shape and topological defect formation. The equilibrium shape of a plastic triangular crystal (PTC)…

Soft Condensed Matter · Physics 2017-08-07 Sai Tang , Simon Praetorius , Rainer Backofen , Axel Voigt , Yan-Mei Yu , Jincheng Wang

A modification of structural phase-field crystal (XPFC) model for an arbitrary pair interaction potential is presented. Formation of 1D and 2D structures for the Lennard-Jones (LJ) potential was studied numerically. The equilibrium lattice…

Materials Science · Physics 2022-07-07 V. Ankudinov

Based on static and dynamical density functional theory, a phase-field-crystal model is derived which involves both the translational density and the orientational degree of ordering as well as a local director field. The model exhibits…

Soft Condensed Matter · Physics 2015-05-19 Hartmut Löwen

This paper presents a unified variational framework that integrates phase-field fracture (PFF) and third-medium contact (TMC) within finite deformation hyperelasticity. The key idea is that both crack and contact are treated through…

Computational Physics · Physics 2026-03-18 Jaemin Kim , Gukheon Kim , Sungmin Yoon , Dong-Hwa Lee

Understanding the morphology formation process of solution-cast photoactive layers (PALs) is crucial to derive design rules for optimized and reliable third generation solar cell fabrication. For this purpose, a Phase-Field (PF)…

Materials Science · Physics 2023-10-19 Maxime Siber , Olivier J. J. Ronsin , Jens Harting

We use the amplitude expansion in the phase field crystal framework to formulate an approach where the fields describing the microscopic structure of the material are coupled to a hydrodynamic velocity field. The model is shown to reduce to…

Statistical Mechanics · Physics 2016-01-20 V. Heinonen , C. V. Achim , J. M. Kosterlitz , See-Chen Ying , J. Lowengrub , T. Ala-Nissila

A modified phase field crystal model in which the free energy may be minimised by an order parameter profile having isolated bumps is investigated. The phase diagram is calculated in one and two dimensions and we locate the regions where…

Soft Condensed Matter · Physics 2012-08-31 Mark J. Robbins , Andrew J. Archer , Uwe Thiele , Edgar Knobloch

Advanced phase-field techniques have been applied to address various aspects of polycrystalline solidification including different modes of crystal nucleation. The height of the nucleation barrier has been determined by solving the…

The efforts associated with parametrization of continuum-based models for crystal plasticity are a significant obstacle for the routine use of these models in materials science and engineering. While phenomenological constitutive…

Materials Science · Physics 2025-02-18 Nikhil Prabhu , Martin Diehl

We develop a preconditioner for the linear system arising from a finite element discretization of the Phase Field Crystal (PFC) equation. The PFC model serves as an atomic description of crystalline materials on diffusive time scales and…

Computational Physics · Physics 2015-08-27 Simon Praetorius , Axel Voigt

A continuum field theory approach is presented for modeling elastic and plastic deformation, free surfaces and multiple crystal orientations in non-equilibrium processing phenomena. Many basic properties of the model are calculated…

Soft Condensed Matter · Physics 2009-11-10 K. R. Elder , Martin Grant

The amplitude expansion for a magnetic phase-field-crystal (magnetic APFC) model enables a convenient coarse-grained description of crystalline structures under the influence of magnetic fields. Considering higher-order magnetic coupling…

Materials Science · Physics 2022-11-01 Rainer Backofen , Marco Salvalaglio , Axel Voigt

Solidification pattern during nonequilibrium crystallization is among the most important microstructures in the nature and technical realms. Phase field crystal (PFC) model could simulate the pattern formation during equilibrium…

Materials Science · Physics 2021-04-12 Kun Wang , Shifang Xiao , Jun Chen , Wangyu Hu

A novel phase-field for ductile fracture model is presented. The model is developed within a consistent variational framework in the context of finite-deformation kinematics. A novel coalescence dissipation introduces a new coupling…

Materials Science · Physics 2021-03-24 Tianchen Hu , Brandon Talamini , Andrew J. Stershic , Michael R. Tupek , John E. Dolbow

This contribution presents a diffuse framework for modeling cracks in heterogeneous media. Interfaces are depicted by static phase-fields. This concept allows the use of non-conforming meshes. Another phase-field is used to describe the…

Materials Science · Physics 2020-05-11 Arne Claus Hansen-Dörr , Franz Dammaß , René de Borst , Markus Kästner

The phase field crystal model allows the study of materials on atomic length and diffusive time scales. It accounts for elastic and plastic deformation in crystal lattices, including several processes such as growth, dislocation dynamics,…

Materials Science · Physics 2023-07-07 Marcello De Donno , Marco Salvalaglio

A novel type of one-dimensional (1D) photonic crystal formed by the array of periodically located stacks of alternating graphene and dielectric stripes embedded into a background dielectric medium is proposed. The wave equation for the…

Mesoscale and Nanoscale Physics · Physics 2015-05-30 Oleg L. Berman , Roman Ya. Kezerashvili