62 citations · 530 across the 48 of their papers we have counts for
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Surface Phase-Field-Crystal-Helfrich model for out-of-plane deformations in thin crystalline sheets with lattice mismatch
Emma Radice, Ingo Nitschke, Marco Salvalaglio +1
Thin, flexible crystalline sheets exhibit unique elastic properties due to their ability to undergo out-of-plane deformations. Understanding this behavior requires a description th…
Intrinsic grain-size gradients upon grain growth near a free surface
Jing Tang, Runlu Yan, Donglan Zhang +5
Grain growth fundamentally shapes the microstructure of crystalline materials upon annealing, affecting their overall mechanical and functional properties. Recently, it has been ra…
Shear-Coupled Grain Growth Statistics
Caihao Qiu, David J. Srolovitz, Gregory S. Rohrer +2
Grain growth (GG), driven by grain boundary (GB) migration, is a fundamental mechanism of microstructural evolution in polycrystalline materials. GB migration is frequently accompa…
Grain-Growth Stagnation from Vacancy-Diffusion-Limited Disconnection Climb
Maik Punke, Abel H. G. Milor, Marco Salvalaglio
Grain growth in polycrystals typically stagnates at long times. We identify disconnection climb, limited by vacancy diffusion, as a fundamental microscopic mechanism underlying thi…
Solid-State Dewetting of Polycrystalline Thin Films: a Phase Field Approach
Paul Hoffrogge, Nils Becker, Daniel Schneider +3
Solid-state dewetting is the process by which thin solid films break up and retract on a substrate, forming nanostructures. While dewetting of single-crystalline films is understoo…
Modeling dislocations in quasicrystals through amplitude equations
Marcello De Donno, Luiza Angheluta, Marco Salvalaglio
Quasicrystals (QCs) are a class of aperiodic ordered structures that emerge in various systems, from metallic alloys to soft matter and driven non-equilibrium systems. Within a mes…
Why Grain Growth is Not Curvature Flow
Caihao Qiu, David J. Srolovitz, Gregory S. Rohrer +2
Grain growth in polycrystals is traditionally considered a capillarity-driven process, where grain boundaries (GBs) migrate toward their centers of curvature (i.e., mean curvature…
A Non-Isothermal Phase-Field Crystal Model with Lattice Expansion: Analysis and Benchmarks
Maik Punke, Marco Salvalaglio, Axel Voigt +1
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…
Hybrid-PFC: coupling the phase-field crystal model and its amplitude-equation formulation
Maik Punke, Marco Salvalaglio
The phase-field crystal (PFC) model describes crystal structures at diffusive timescales through a periodic, microscopic density field. It has been proposed to model elasticity in…
Gradient elasticity in Swift-Hohenberg and phase-field crystal models
Lucas Benoit--Maréchal, Marco Salvalaglio
The Swift-Hohenberg (SH) and Phase-Field Crystal (PFC) models are minimal yet powerful approaches for studying phenomena such as pattern formation, collective order, and defects vi…
Mesoscale modeling of deformations and defects in thin crystalline sheets
Lucas Benoit--Maréchal, Ingo Nitschke, Axel Voigt +1
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 def…
Amplitude phase-field crystal model for the hexagonal close-packed lattice
Marcello De Donno, Marco Salvalaglio
The phase field crystal model allows the study of materials on atomic length and diffusive time scales. It accounts for elastic and plastic deformation in crystal lattices, includi…
Evaluation of the elastic field in phase-field crystal simulations
Maik Punke, Vidar Skogvoll, Marco Salvalaglio
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 feature…
Disconnection Flow-Mediated Grain Rotation
Caihao Qiu, Marco Salvalaglio, David J. Srolovitz +1
Interface migration in microstructures is mediated by the motion of line defects with step and dislocation character, i.e., disconnections. We propose a continuum model for arbitra…
Germanium-based nearly hyperuniform nanoarchitectures by ion beam impact
Jean-Benoit Claude, Mohammed Bouabdellaoui, Jerome Wenger +3
We address the fabrication of nano-architectures by impacting thin layers of amorphous Ge deposited on SiO with a Ga ion beam and investigate the structural and optical…
Amplitude expansion of the phase-field crystal model for complex crystal structures
Marcello De Donno, Lucas Benoit--Maréchal, Marco Salvalaglio
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 syste…
Controlling magnetic anisotropy in amplitude expansion of phase field crystal model
Rainer Backofen, Marco Salvalaglio, Axel Voigt
The amplitude expansion for a magnetic phase-field-crystal (magnetic APFC) model enables a convenient coarse-grained description of crystalline structures under the influence of ma…
Improved time integration for phase-field crystal models of solidification
Maik Punke, Steven M. Wise, Axel Voigt +1
We optimize a numerical time-stabilization routine for the phase-field crystal (PFC) models of solidification. By numerical experiments, we showcase that our approach can improve t…
Explicit temperature coupling in phase-field crystal models of solidification
Maik Punke, Steven M. Wise, Axel Voigt +1
We present a phase-field crystal (PFC) model for solidification that accounts for thermal transport and a temperature-dependent lattice parameter. Elasticity effects are characteri…
Interface Faceting-Defaceting Mediated by Disconnections
Caihao Qiu, Marco Salvalaglio, David J. Srolovitz +1
An intrinsic feature of nearly all internal interfaces in crystalline systems (homo- and hetero-phase) is the presence of disconnections (topological line defects constrained to th…
Hydrodynamic phase field crystal approach to interfaces, dislocations, and multi-grain networks
Vidar Skogvoll, Marco Salvalaglio, Luiza Angheluta
We derive a phase field crystal model that couples the diffusive evolution of a microscopic structure with the fast dynamics of a macroscopic velocity field, explicitly accounting…
Magnetic APFC modeling and the influence of magneto-structural interactions on grain shrinkage
Rainer Backofen, Marco Salvalaglio, Axel Voigt
We derive the amplitude expansion for a phase-field-crystal (APFC) model that captures the basic physics of magneto-structural interactions. The symmetry breaking due to magnetizat…
Coarse-grained modeling of crystals by the amplitude expansion of the phase-field crystal model: an overview
Marco Salvalaglio, Ken R. Elder
Comprehensive investigations of crystalline systems often require methods bridging atomistic and continuum scales. In this context, coarse-grained mesoscale approaches are of parti…
A phase field crystal theory of the kinematics of dislocation lines
Vidar Skogvoll, Luiza Angheluta, Audun Skaugen +2
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…