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Fracture is a ubiquitous phenomenon in most composite engineering structures, and is often the responsible mechanism for catastrophic failure. Over the past several decades, many approaches have emerged to model and predict crack failure.…

介观与纳米尺度物理 · 物理学 2025-06-06 Vinamra Agrawal , Brandon Runnels

The anisotropic phase-field crystal model recently proposed and used by Prieler et al. [J. Phys.: Condens. Matter 21, 464110 (2009)] is derived from microscopic density functional theory for anisotropic particles with fixed orientation.…

材料科学 · 物理学 2015-05-27 Muhammad Ajmal Choudhary , Daming Li , Heike Emmerich , Hartmut Löwen

We evaluated the performance of the classical and spectral finite element method in the simulation of elastodynamic problems. We used as a quality measure their ability to capture the actual dispersive behavior of the material. Four…

计算工程、金融与科学 · 计算机科学 2015-01-15 Nicolás Guarín-Zapata , Juan Gomez

Fracture is a fundamental mechanism of materials failure. Propagating cracks can exhibit a rich dynamical behavior controlled by a subtle interplay between microscopic failure processes in the crack tip region and macroscopic elasticity. We…

材料科学 · 物理学 2015-05-18 R. Spatschek , E. Brener , A. Karma

The active Phase-Field-Crystal (aPFC) model combines elements of the Toner-Tu theory for self-propelled particles and the classical Phase-Field-Crystal (PFC) model that describes the transition between liquid to crystalline phases. In the…

斑图形成与孤子 · 物理学 2021-02-25 Lukas Ophaus , Johannes Kirchner , Svetlana V. Gurevich , Uwe Thiele

This paper presents an analytical framework, based on Floquet modal expansions of the electromagnetic fields and equivalent circuits, to model reconfigurable metasurfaces loaded with generic lumped elements (resistors, capacitors,…

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…

材料科学 · 物理学 2024-04-09 Alexandre Sac-Morane , Manolis Veveakis , Hadrien Rattez

This article reviews the current status of lattice-dynamical calculations in crystals, using density-functional perturbation theory, with emphasis on the plane-wave pseudo-potential method. Several specialized topics are treated, including…

材料科学 · 物理学 2009-10-31 S. Baroni , S. de Gironcoli , A. Dal Corso , P. Giannozzi

We present a MATLAB-based framework for two- and three-dimensional fast Fourier transforms on multiple GPUs for large-scale numerical simulations using the pseudo-spectral Fourier method. The software implements two complementary multi-GPU…

数学软件 · 计算机科学 2026-03-31 Maik Punke , Marco Salvalaglio

We consider the effective area A_eff of photonic crystal fibers (PCFs) with a triangular air-hole lattice in the cladding. It is first of all an important quantity in the context of non-linearities, but it also has connections to leakage…

光学 · 物理学 2013-01-25 Niels Asger Mortensen

We introduce a non-isothermal phase-field crystal model including heat flux and thermal expansion of the crystal lattice. The thermal compatibility condition, as well as a positive entropy-production property, is derived analytically and…

材料科学 · 物理学 2025-01-23 Maik Punke , Marco Salvalaglio , Axel Voigt , Steven M. Wise

The phase field crystal (PFC) method is an efficient technique for simulating the evolution of crystalline microstructures at atomistic length scales and diffusive time scales. Due to the high-order derivatives (sixth-order) and the…

数值分析 · 数学 2026-01-12 Xiaoli Li , Kaiyi Niu , Jiang Yang

Large-scale 3D martensitic microstructure evolution problems are studied using a finite-element discretization of a finite-strain phase-field model. The model admits an arbitrary crystallography of transformation and arbitrary elastic…

计算物理 · 物理学 2021-02-19 K. Tůma , M. Rezaee-Hajidehi , J. Hron , P. E. Farrell , S. Stupkiewicz

In this work we propose an efficient and accurate multi-scale optical simulation algorithm by applying a numerical version of slowly varying envelope approximation in FEM. Specifically, we employ the fast iterative method to quickly compute…

光学 · 物理学 2024-12-03 Fan Xiao , Jingwei Wang , Zhongfei Xiong , Yuntian Chen

In a recent class of phase field crystal (PFC) models, the density order parameter is coupled to powers of its mean field. This effectively introduces a phenomenology of higher-order direct correlation functions acting on long wavelengths,…

材料科学 · 物理学 2024-08-21 Daniel L. Coelho , Duncan Burns , Emily Wilson , Nikolas Provatas

In this paper, we construct and analyze an energy stable scheme by combining the latest developed scalar auxiliary variable (SAV) approach and linear finite element method (FEM) for phase field crystal (PFC) model, and show rigorously that…

数值分析 · 数学 2019-10-15 Liupeng Wang , Yunqing Huang , Kai Jiang

Interface energy and kinetic coefficient of crystal growth strongly depend on the face of the crystalline lattice. To investigate the kinetic anisotropy and velocity of different crystallographic faces we use the hyperbolic (modified) phase…

材料科学 · 物理学 2020-04-03 Vladimir Ankudinov , Peter K. Galenko

In this paper we propose and analyze a second order accurate (in time) numerical scheme for the square phase field crystal (SPFC) equation, a gradient flow modeling crystal dynamics at the atomic scale in space but on diffusive scales in…

数值分析 · 数学 2021-01-01 Min Wang , Qiumei Huang , Cheng Wang

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…

软凝聚态物质 · 物理学 2019-02-19 Shuwei Zhou , Xiaoying Zhuang , Hehua Zhu , Timon Rabczuk

We introduce a Phase Field Crystal (PFC) model for particles with n-fold rotational symmetry in two dimensions. Our approach is based on a free energy functional that depends on the reduced one-particle density, the strength of the…

软凝聚态物质 · 物理学 2023-02-02 Robert F. B. Weigel , Michael Schmiedeberg