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Starting from a general classical model of many interacting particles we present a well defined step by step procedure to derive the continuum-mechanics equations of nonlinear elasticity theory with fluctuations which describe the…

Statistical Mechanics · Physics 2022-06-02 Rudolf Haussmann

The dynamics of dislocations can be formulated in terms of the evolution of continuous variables representing dislocation densities ('continuum dislocation dynamics'). We show for various variants of this approach that the resulting models…

Materials Science · Physics 2024-10-23 Yufan Zhang , Ronghai Wu , Michael Zaiser

Conserved growth models that exhibit a nonlinear instability in which the height (depth) of isolated pillars (grooves) grows in time are studied by numerical integration and stochastic simulation. When this instability is controlled by the…

Statistical Mechanics · Physics 2009-11-07 B. Chakrabarti , C. Dasgupta

Materials with nanoscale phase separation are considered. These materials are formed by a mixture of several phases, so that inside one phase there exist nanosize inclusions of other phases, with random shapes and random spatial locations.…

Mesoscale and Nanoscale Physics · Physics 2014-03-31 V. I. Yukalov , E. P. Yukalova

This article presents a new phase-field formulation for non-equilibrium interface conditions in rapid phase transformations. With a particular way of defining concentration fields, the classical sharp and diffuse (thick) interface theories…

Materials Science · Physics 2023-04-03 Yue Li , Lei Wang , Junjie Li , Jincheng Wang , Zhijun Wang

A general theoretical framework for investigating nonlinear dynamics of phase space zonal structures is presented in this work. It is then, more specifically, applied to the limit where the nonlinear evolution time scale is smaller or…

Plasma Physics · Physics 2015-06-23 Fulvio Zonca , Liu Chen , Sergio Briguglio , Giuliana Fogaccia , Gregorio Vlad , Xin Wang

In this research, atomistic molecular dynamics simulations are combined with mesoscopic phase-field computational methods in order to investigate phase-transformation in polycrystalline Aluminum microstructure. In fact, microstructural…

Materials Science · Physics 2019-07-03 Mehrdad Yousefi

We consider the problem of heterogeneous nucleation and growth. The system is described by a phase field model in which the temperature is included through thermal noise. We show that this phase field approach is suitable to describe…

Statistical Mechanics · Physics 2009-11-07 Mario Castro

In previous papers we have introduced a natural nonequilibrium free energy by considering the functional describing the large fluctuations of stationary nonequilibrium states. While in equilibrium this functional is always convex, in…

Statistical Mechanics · Physics 2015-12-18 L. Bertini , A. De Sole , D. Gabrielli , G. Jona-Lasinio , C. Landim

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

Non-equilibrium dynamics are present in many aspects of our lives, ranging from microscopic physical systems to the functioning of the brain. What characterizes stochastic models of non-equilibrium processes is the breaking of the…

Statistical Mechanics · Physics 2025-01-27 Sergei Shmakov , Peter B. Littlewood

Knowledge about grain boundary migration is a prerequisite for understanding and ultimately modulating the properties of polycrystalline materials. Evidence from experiments and molecular dynamics (MD) simulations suggests that the…

Materials Science · Physics 2021-12-08 Mahi Gokuli , Brandon Runnels

While crack nucleation and propagation in the brittle or quasi-brittle regime can be predicted via variational or material-force-based phase field fracture models, these models often assume that the underlying elastic response of the…

Computational Engineering, Finance, and Science · Computer Science 2020-08-13 Hyoung Suk Suh , WaiChing Sun , Devin O'Connor

In the present work, the evolution of damage in periodic composite materials is investigated through a novel finite element-based multiscale computational approach. The methodology is developed by means of the original combination of…

Numerical Analysis · Mathematics 2019-08-09 Francesca Fantoni , Andrea Bacigalupo , Marco Paggi , Josè Reinoso

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

A new phase field crystal (PFC) type theory is presented, which accounts for the full spectrum of solid-liquid-vapor phase transitions within the framework of a single density order parameter. Its equilibrium properties show the most…

Materials Science · Physics 2015-06-23 Gabriel Kocher , Nikolas Provatas

In this paper we consider nonlinearly elastic, frame-indifferent, and singularly perturbed two-well models for materials undergoing solid-solid phase transitions in any space dimensions, and we perform a simultaneous passage to…

Analysis of PDEs · Mathematics 2020-05-11 Elisa Davoli , Manuel Friedrich

The internal energy associated with the defect microstructure of strongly deformed crystals provides an important driving force for grain boundary motion during recrystallization. Typical dislocation microstructures are strongly…

Materials Science · Physics 2026-01-13 Yufan Zhang , Michael Zaiser

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

Progressive damage, which eventually leads to failure, is ubiquitous in biological and synthetic polymers. The simplest case to consider is that of elastomeric materials, which can undergo large reversible deformations with negligible rate…

Soft Condensed Matter · Physics 2018-02-14 Brandon Talamini , Yunwei Mao , Lallit Anand