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The quantitative phase-field approach has been adapted to model solidification in the presence of Metal Matrix Nanocomposites (MMNCs) in a single-component liquid. Nanoparticles of fixed size and shape are represented by additional fields.…

Materials Science · Physics 2014-06-11 Tamás Pusztai , László Rátkai , Attila Szállás , László Gránásy

We implement an adaptive mesh algorithm for calculating the space and time dependence of the atomic density field during materials processing. Our numerical approach uses the systematic renormalization-group formulation of the phase field…

A continuum density-field formulation with particle-scale resolution is constructed to simultaneously incorporate the orientation dependence of interparticle interactions and the rotational invariance of the system, a fundamental but…

Materials Science · Physics 2018-05-28 Zi-Le Wang , Zhirong Liu , Zhi-Feng Huang

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…

We present a new phase field crystal model for structural transformations in multi-component alloys. The formalism builds upon the two-point correlation kernel developed in Greenwood et al. for describing structural transformations in pure…

Materials Science · Physics 2015-06-12 Nana Ofori-Opoku , Vahid Fallah , Michael Greenwood , Shahrzad Esmaeili , Nikolas Provatas

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 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

Phase field crystal (PFC) theory, extensively used for modelling the structure of solids, can be derived from dynamical density functional theory (DDFT) via a sequence of approximations. Standard derivations neglect a term of form…

Soft Condensed Matter · Physics 2019-09-04 Andrew J. Archer , Daniel J. Ratliff , Alastair M. Rucklidge , Priya Subramanian

Continuum models of plasticity fail to capture the richness of microstructural evolution because the continuum is a homogeneous construction. The present study shows that an alternative way is available at the mesoscale in the form of truly…

Materials Science · Physics 2025-10-01 Afonso D. M. Barroso , Elijah Borodin , Andrey P. Jivkov

We present a phase field model (PFM) for simulating complex crack patterns including crack propagation, branching and coalescence in rock. The phase field model is implemented in COMSOL and is based on the strain decomposition for the…

Soft Condensed Matter · Physics 2019-02-19 Shuwei Zhou , Xiaoying Zhuang , Hehua Zhu , Timon Rabczuk

In this paper we analyze and implement a second-order-in-time numerical scheme for the three-dimensional phase field crystal (PFC) equation. The numerical scheme was proposed in [46], with the unique solvability and unconditional energy…

Numerical Analysis · Mathematics 2016-11-22 Lixiu Dong , Wenqiang Feng , Cheng Wang , Steven M. Wise , Zhengru Zhang

The phase-field crystal model in its amplitude equation approximation is shown to provide an accurate description of the deformation field in defected crystalline structures, as well as of dislocation motion. We analyze in detail the…

Materials Science · Physics 2020-01-01 Marco Salvalaglio , Luiza Angheluta , Zhi-Feng Huang , Axel Voigt , Ken R. Elder , Jorge Viñals

The formation and dynamics of a wide variety of binary two-dimensional ordered structures and superlattices are investigated through a phase field crystal model with sublattice ordering. Various types of binary ordered phases, the phase…

Soft Condensed Matter · Physics 2019-09-25 Doaa Taha , S. R. Dlamini , S. K. Mkhonta , K. R. Elder , Zhi-Feng Huang

We introduce a dislocation density tensor and derive its kinematic evolution law from a phase field description of crystal deformations in three dimensions. The phase field crystal (PFC) model is used to define the lattice distortion,…

Materials Science · Physics 2022-06-06 Vidar Skogvoll , Luiza Angheluta , Audun Skaugen , Marco Salvalaglio , Jorge Viñals

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

Complex field imaging, which captures both the amplitude and phase information of input optical fields or objects, can offer rich structural insights into samples, such as their absorption and refractive index distributions. However,…

Optics · Physics 2024-05-30 Jingxi Li , Yuhang Li , Tianyi Gan , Che-Yung Shen , Mona Jarrahi , Aydogan Ozcan

Amorphization during severe plastic deformation has been observed in various crystalline materials, yet its underlying mechanisms remain poorly understood. This study introduces a novel phase-field model at the mesoscale, integrating…

Materials Science · Physics 2025-10-10 Yuntong Huang , Shuyang Dai , Chuqi Chen , Yang Xiang

This work addresses differences in predicted elastic fields created by dislocations either by the Phase Field Crystal (PFC) model, or by static Field Dislocation Mechanics (FDM). The PFC order parameter describes the topological content of…

Materials Science · Physics 2024-04-16 Manas Vijay Upadhyay , Jorge Viñals

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

We consider a modification of the so-called phase-field crystal (PFC) equation introduced by K.R. Elder et al. This variant has recently been proposed by P. Stefanovic et al. to distinguish between elastic relaxation and diffusion time…

Analysis of PDEs · Mathematics 2013-06-26 Maurizio Grasselli , Hao Wu