Grain boundaries are Brownian ratchets

C Qiu, M Punke, Y Tian, Y Han, S Wang, Y Su… - Science, 2024 - science.org
We demonstrate that grain boundaries (GBs) behave as Brownian ratchets, exhibiting
direction-dependent mobilities and unidirectional motion under oscillatory driving forces or …

A unified field theory of topological defects and non-linear local excitations

V Skogvoll, J Rønning, M Salvalaglio… - npj Computational …, 2023 - nature.com
Topological defects and smooth excitations determine the properties of systems showing
collective order. We introduce a generic non-singular field theory that comprehensively …

Reconstructing microstructures from statistical descriptors using neural cellular automata

P Seibert, A Raßloff, Y Zhang, K Kalina, P Reck… - Integrating Materials and …, 2024 - Springer
The problem of generating microstructures of complex materials in silico has been
approached from various directions including simulation, Markov, deep learning and …

Two-dimensional phase field crystal simulation of laser-induced recrystallization: A mechanism of grain-boundary phonon scattering and softening

D Burns, N Provatas, M Grant - Physical Review Materials, 2023 - APS
In this article we present, as far as we know, the first numerical investigation of phonon
relaxation in two-dimensional polycrystalline systems simulated with a multitimescale phase …

Amplitude expansion of the phase-field crystal model for complex crystal structures

M De Donno, L Benoit–Maréchal, M Salvalaglio - Physical Review Materials, 2023 - APS
The phase-field crystal (PFC) model describes crystal lattices at diffusive timescales. Its
amplitude expansion (APFC) can be applied to the investigation of relatively large systems …

Phase field crystal models with applications to laser deposition: A review

D Burns, N Provatas, M Grant - Structural Dynamics, 2024 - pubs.aip.org
In this article, we address the application of phase field crystal (PFC) theory, a hybrid
atomistic-continuum approach, for modeling nanostructure kinetics encountered in laser …

A novel estimation method for microstructural evolution based on data assimilation and phase field crystal model

W Xie, Y Li - Communications in Nonlinear Science and Numerical …, 2023 - Elsevier
In the simulation of microstructural evolutions, detailed priori knowledge for the model
parameters and initial states is difficult to be observed by experiments. For an improved …

[HTML][HTML] Mesoscale modeling of deformations and defects in thin crystalline sheets

L Benoit–Maréchal, I Nitschke, A Voigt… - Mechanics of Materials, 2024 - Elsevier
We present a mesoscale description of deformations and defects in thin, flexible sheets with
crystalline order, tackling the interplay between in-plane elasticity, out-of-plane deformation …

Gradient elasticity in Swift–Hohenberg and phase-field crystal models

L Benoit-Maréchal, M Salvalaglio - Modelling and Simulation in …, 2024 - iopscience.iop.org
Abstract The Swift–Hohenberg (SH) and phase-field crystal (PFC) models are minimal yet
powerful approaches for studying phenomena such as pattern formation, collective order …

Evaluation of the elastic field in phase‐field crystal simulations

M Punke, V Skogvoll, M Salvalaglio - PAMM, 2023 - Wiley Online Library
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 …