Coarse-grained modeling of crystals by the amplitude expansion of the phase-field crystal model: an overview
M Salvalaglio, KR Elder - Modelling and Simulation in Materials …, 2022 - iopscience.iop.org
Comprehensive investigations of crystalline systems often require methods bridging
atomistic and continuum scales. In this context, coarse-grained mesoscale approaches are …
atomistic and continuum scales. In this context, coarse-grained mesoscale approaches are …
Multiscale modeling of polycrystalline graphene: A comparison of structure and defect energies of realistic samples from phase field crystal models
We extend the phase field crystal (PFC) framework to quantitative modeling of
polycrystalline graphene. PFC modeling is a powerful multiscale method for finding the …
polycrystalline graphene. PFC modeling is a powerful multiscale method for finding the …
Controlling the energy of defects and interfaces in the amplitude expansion of the phase-field crystal model
One of the major difficulties in employing phase-field crystal (PFC) modeling and the
associated amplitude (APFC) formulation is the ability to tune model parameters to match …
associated amplitude (APFC) formulation is the ability to tune model parameters to match …
Modeling buckling and topological defects in stacked two-dimensional layers of graphene and hexagonal boron nitride
In this paper, a two-dimensional phase field crystal model of graphene and hexagonal boron
nitride (hBN) is extended to include out-of-plane deformations in stacked multilayer systems …
nitride (hBN) is extended to include out-of-plane deformations in stacked multilayer systems …
Mechanical relaxation and fracture of phase field crystals
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 …
behavior of phase field crystals (PFC), to overcome a limitation of the PFC dynamics which …
Liquid-substrate fluctuation effects on crystal growth and disordered hyperuniformity of two-dimensional materials
SK Mkhonta, ZF Huang, KR Elder - Physical Review Materials, 2024 - APS
We investigate the growth of two-dimensional (2D) crystals on fluctuating surfaces using a
phase-field crystal model that is relevant on atomic length and diffusive time scales …
phase-field crystal model that is relevant on atomic length and diffusive time scales …
[HTML][HTML] Phase-field crystal method for multiscale microstructures with cubic term
Z Chen, Y Hu, X He, T Xiao, L Hao, Y Ruan - Materials Today …, 2021 - Elsevier
One mode phase-field crystal model is introduced to describe morphological transition in the
presence of a cubic term. The application of the field leads to a comprehensive pattern …
presence of a cubic term. The application of the field leads to a comprehensive pattern …
Moiré patterns and inversion boundaries in graphene/hexagonal boron nitride bilayers
KR Elder, ZF Huang, T Ala-Nissila - Physical Review Materials, 2023 - APS
In this paper a systematic examination of graphene/hexagonal boron nitride (g/hBN) bilayers
is presented, through a recently developed two-dimensional phase field crystal model that …
is presented, through a recently developed two-dimensional phase field crystal model that …
Influence of misorientation on graphene Moiré patterns
In this work the influence of film-substrate misorientation on the strain-induced ordering of
graphene films on various metallic surfaces is examined using a mesoscopic continuum …
graphene films on various metallic surfaces is examined using a mesoscopic continuum …
Adaptive mesh simulations of polycrystalline materials using a Cartesian representation of an amplitude expansion of the phase-field-crystal model
M Berčič, G Kugler - Physical Review E, 2018 - APS
This paper introduces improvements to an amplitude expansion of the phase-field-crystal
model. An auxiliary field describing local grain rotation is introduced and used to enable the …
model. An auxiliary field describing local grain rotation is introduced and used to enable the …