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This paper introduces a new structural phase field crystal (PFC) type model that expands the PFC methodology to a wider class of structurally complex crystal structures than previously possible. Specifically, our new approach allows for…

Materials Science · Physics 2016-02-03 Matthew Seymour , Nikolas Provatas

This paper concludes a three-part effort aimed at developing a consistent and unified framework for the phase-field modeling of cohesive fracture. Building on the theoretical foundations established in the first two parts, which included a…

Analysis of PDEs · Mathematics 2025-07-31 Roberto Alessi , Francesco Colasanto , Matteo Focardi

Phase-field models of fracture introduce smeared cracks of width commensurate with a regularisation length parameter $\epsilon$ and obeying a minimum energy principle. Mesh adaptivity naturally suggests itself as a means of supplying…

Computational Engineering, Finance, and Science · Computer Science 2022-06-01 Dhananjay Phansalkar , Kerstin Weinberg , Michael Ortiz , Sigrid Leyendecker

A phase-field approach to the dynamics of liquid-solid interfaces that evolve due to precipitation and/or dissolution is presented. For the purpose of illustration and comparison with other methods, phase field simulations were carried out…

Computational Physics · Physics 2018-07-04 Zhijie Xu , Paul Meakin

Phase-field modeling -- a continuous approach to discontinuities -- is gaining popularity for simulating rock fractures due to its ability to handle complex, discontinuous geometry without an explicit surface tracking algorithm. None of the…

Geophysics · Physics 2022-11-24 Fan Fei , Jinhyun Choo , Chong Liu , Joshua A. White

The phase-field crystal model (PFC) describes crystal structures at diffusive timescales through a periodic order parameter representing the atomic density. One of its main features is that it naturally incorporates elastic and plastic…

Materials Science · Physics 2023-07-07 Maik Punke , Vidar Skogvoll , Marco Salvalaglio

In the present study, a consistent and conservative Phase-Field model is developed to study thermo-gas-liquid-solid flows with liquid-solid phase change. The proposed model is derived with the help of the consistency conditions and exactly…

Computational Physics · Physics 2021-11-16 Ziyang Huang , Guang Lin , Arezoo M. Ardekani

We present a novel computational modeling framework to numerically investigate fluid-structure interaction in viscous fluids using the phase field embedding method. Each rigid body or elastic structure immersed in the incompressible viscous…

Fluid Dynamics · Physics 2021-09-16 Qi Hong , Qi Wang

A robust $hp$-adaptive finite element framework is presented for the investigation of static cracks in materials characterized by complex, pointwise density variations. Within such heterogeneous media, the equilibrium equation governed by…

Numerical Analysis · Mathematics 2025-12-29 S. M. Mallikarjunaiah

During phase transitions certain properties of a material change, such as composition field and lattice-symmetry distortions. These changes are typically coupled, and affect the microstructures that form in materials. Here, we propose a 2D…

Materials Science · Physics 2018-04-25 Ananya Renuka Balakrishna , W. Craig Carter

We present a new mechanistic, phase field-based formulation for predicting hydrogen embrittlement. The multi-physics model developed incorporates, for the first time, a Taylor-based dislocation model to resolve the mechanics of crack tip…

Materials Science · Physics 2021-08-03 M. Isfandbod , E. Martínez-Pañeda

Geologic shear fractures such as faults and slip surfaces involve marked friction along the discontinuities as they are subjected to significant confining pressures. This friction plays a critical role in the growth of these shear…

Geophysics · Physics 2020-07-23 Fan Fei , Jinhyun Choo

A novel numerical approach to analyze the mechanical behavior within composite materials including the inelastic regime up to final failure is presented. Therefore, a second-gradient theory is combined with phase-field methods to fracture.…

Computational Engineering, Finance, and Science · Computer Science 2021-04-20 Maik Dittman , Jonathan Schult , Felix Schmidt , Christian Hesch

In the manufacturing process of high-performance particulate materials, viscous sintering plays a crucial role, particularly in fields such as polymer processing and additive manufacturing. The interactions between microscopic particles,…

Computational Engineering, Finance, and Science · Computer Science 2024-12-06 Xiaoxu Dai , Bo Qian , Arkadz Kirshtein , Qingcheng Yang

Multiscale modelling is a new paradigm that has emerged in recent times to study the well-known problem of the process-structure-property relationship in the area of materials science and engineering. For obtaining the desired performance…

Materials Science · Physics 2023-10-10 Rupesh Chafle , Vishal Panwar , Kaushik Das , Somnath Bhowmick , Rajdip Mukherjee

Phase field crystals (PFC) are a tool for simulating materials at the atomic level. They combine the small length-scale resolution of molecular dynamics (MD) with the ability to simulate dynamics on mesoscopic time scales. We show how PFC…

Materials Science · Physics 2015-05-13 P. F. Tupper , Martin Grant

We present a novel computational framework to assess the structural integrity of welds. In the first stage of the simulation framework, local fractions of microstructural constituents within weld regions are predicted based on steel…

Computational Engineering, Finance, and Science · Computer Science 2024-12-12 J. Wijnen , J. Parker , M. Gagliano , E. Martínez-Pañeda

The roles of applied strain and temperature on the hydration dynamics of cement paste are uncovered in the present study. We find that the system hardens over time through two different aging processes. The first process dominates the…

Soft Condensed Matter · Physics 2021-02-22 Atul Varshney , Smita Gohil , B. A. Chalke , R. D. Bapat , S. Mazumder , S. Bhattacharya , Shankar Ghosh

As phase-field modeling (PFM) is booming across various disciplines and has been proven fitted for numerically modeling interfacial problems, we aim at taking a step back to revisit its fundamental validity, in the light of non-equilibrium…

Statistical Mechanics · Physics 2019-07-09 Alexandre Guevel , Hadrien Rattez , Sotiris Alevizos , Manolis Veveakis

The reduction of iron ore with carbon-carriers is one of the largest sources of greenhouse gas emissions in the industry, motivating global activities to replace the coke-based blast furnace reduction by hydrogen-based direct reduction…