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 …
Dynamics of fluctuations and thermal buckling in graphene from a phase-field crystal model
We study the effects of thermal fluctuations and pinned boundaries in graphene membranes
by using a phase-field crystal model with out-of-plane deformations. For sufficiently long …
by using a phase-field crystal model with out-of-plane deformations. For sufficiently long …
Phase ordering, transformation, and grain growth of two-dimensional binary colloidal crystals: A phase field crystal modeling
The formation and dynamics of a wide variety of binary two-dimensional ordered structures
and superlattices are investigated through a phase field crystal model with sublattice …
and superlattices are investigated through a phase field crystal model with sublattice …
Dynamic scaling of out-of-plane fluctuations in freestanding graphene
We study the dynamical behavior of the mean-square displacement of height fluctuations of
freestanding graphene using a phase-field-crystal model introduced recently. We find that …
freestanding graphene using a phase-field-crystal model introduced recently. We find that …
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 …
A moiré theory for probing grain boundary structure in graphene
Multiscale microscopy spanning the atomistic, moiré, and meso scales has enabled
engineering the equilibrium structure of graphene. However, temporal restrictions on in …
engineering the equilibrium structure of graphene. However, temporal restrictions on in …
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 …
Yielding and jerky plasticity of tilt grain boundaries in high-temperature graphene
Graphene is well known for its extraordinary mechanical properties combining brittleness
and ductility. While most mechanical studies of graphene focused on the strength and brittle …
and ductility. While most mechanical studies of graphene focused on the strength and brittle …
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 …
Striped, honeycomb, and twisted moiré patterns in surface adsorption systems with highly degenerate commensurate ground states
Atomistically thin adsorbate layers on surfaces with a lattice mismatch display complex
spatial patterns and ordering due to strain-driven self-organization. In this work, a general …
spatial patterns and ordering due to strain-driven self-organization. In this work, a general …