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In molecular simulation and fluid mechanics, the coupling of a particle domain with a continuum representation of its embedding environment is an ongoing challenge. In this work, we show a novel approach where the latest version of the…

Computational Physics · Physics 2022-12-14 Abbas Gholami , Rupert Klein , Luigi Delle Site

This study addresses microstructure selection mechanisms in rapid solidification, specifically targeting the transition from cellular/dendritic to planar interface morphologies under conditions relevant to additive manufacturing. We use a…

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

This paper presents a new adaptive multiscale homogenization scheme for the simulation of damage and fracture in concrete structures. A two-scale homogenization method, coupling meso-scale discrete particle models to macro- scale finite…

Computational Engineering, Finance, and Science · Computer Science 2017-02-03 Roozbeh Rezakhani , Xinwei Zhou , Gianluca Cusatis

Accurate predictions of thermo-mechanically coupled process in metals can lead to a reduction of cost and an increase of productivity in manufacturing processes such as forming. For modeling these coupled processes with the finite element…

Materials Science · Physics 2019-05-30 Jifeng Li , Ignacio Romero , Javier Segurado

The finite element simulation of dynamic wetting phenomena, requiring the computation of flow in a domain confined by intersecting a liquid-fluid free surface and a liquid-solid interface, with the three-phase contact line moving across the…

Computational Physics · Physics 2012-02-20 J. E. Sprittles , Y. D. Shikhmurzaev

Within this work, we develop a phase-field description for simulating fractures in incompressible materials. Standard formulations are subject to volume-locking when the solid is (nearly) incompressible. We propose an approach that builds…

Numerical Analysis · Mathematics 2024-12-20 Katrin Mang , Thomas Wick , Winnifried Wollner

Rapid solidification in Additively Manufactured (AM) metallic materials results in the development of significant microscale internal stresses, which are attributed to the printing induced dislocation substructures. The resulting backstress…

Materials Science · Physics 2024-05-29 Namit Pai , Indradev Samajdar , Anirban Patra

We present a two-phase field model and a hybrid particle-phase field model to simulate dilute colloidal sedimentation and flotation near a liquid-gas interface (or fluid-fluid interface in general). Both models are coupled to the…

Soft Condensed Matter · Physics 2024-10-01 Alexandra J. Hardy , Abdallah Daddi-Moussa-Ider , Elsen Tjhung

A computational method is developed for the study of mechanical response and fracture behavior of phase field crystals (PFC), to overcome a limitation of the PFC dynamics which lacks an effective mechanism for describing fast mechanical…

Materials Science · Physics 2019-01-04 Wenquan Zhou , Jincheng Wang , Zhijun Wang , Zhi-Feng Huang

Variational phase-field models of brittle fracture are powerful tools for studying Griffith-type crack propagation in complex scenarios. However, as approximations of Griffith's theory-which does not incorporate a strength criterion-these…

Applied Physics · Physics 2026-01-06 Francesco Vicentini , Jonas Heinzmann , Pietro Carrara , Laura De Lorenzis

FeTi-based hydrides have recently re-attracted attention as stationary hydrogen storage materials due to favorable reversibility, good sorption kinetics and relatively low costs compared to alternative intermetallic hydrides. Employing the…

The out-of-equilibrium heterogeneous microstructure typical of AlSi10Mg processed by Laser Powder Bed Fusion (LPBF) is often modified by further heat treatment to improve its ductility. According to literature, extensive experimental…

The difficulties in dealing with discontinuities related to a sharp crack are overcome in the phase-field approach for fracture by modeling the crack as a diffusive object being described by a continuous field having high gradients. The…

Computational Engineering, Finance, and Science · Computer Science 2023-12-05 Sindhu Nagaraja , Mohamed Elhaddad , Marreddy Ambati , Stefan Kollmannsberger , Laura De Lorenzis , Ernst Rank

Chaotic free surface flows are challenging problems to simulate numerically, mainly due to the significant changes in geometry and frequent topological changes. Methods that track the evolution of the fluid in a Lagrangian formulation are a…

Fluid Dynamics · Physics 2025-12-24 Thomas Leyssens , Jonathan Lambrechts , Jean-François Remacle

The phase-field model (PFM) represents the crack geometry in a diffusive way without introducing sharp discontinuities. This feature enables PFM to effectively model crack propagation compared with numerical methods based on discrete crack…

Computational Engineering, Finance, and Science · Computer Science 2019-02-18 Shuwei Zhou , Timon Rabczuk , Xiaoying Zhuang

We propose a novel phase-field model to predict elastic microphase separation in polymer gels. To this end, we extend the Cahn-Hilliard free-energy functional to incorporate an elastic strain energy and a coupling term. These contributions…

Materials Science · Physics 2025-05-05 Hamza Oudich , Pietro Carrara , Laura De Lorenzis

Concrete heterogeneity originates from its production process, which involves bonding aggregates with a binder matrix. This study presents a mesoscale finite element model (MFEM) that offers detailed insights into the fracture process at…

Materials Science · Physics 2025-09-17 Jan Mašek , Petr Miarka

Applied magnetic fields can alter phase equilibria and kinetics in steels; however, quantitatively resolving how magnetic, chemical, and elastic driving forces jointly influence the microstructure remains challenging. We develop a…

This work propose an application of the concept of fluctuating diffusivity to the diffusion of gas molecules in cementitious materials, particularly through a two-state fluctuating diffusivity (2SFD) model. The 2SFD model is utilized to…

Soft Condensed Matter · Physics 2023-11-28 Fumiaki Nakai , Takato Ishida