Multicomponent phase-field crystal model for structural transformations in metal alloys
@article{OforiOpoku2012MulticomponentPC, title={Multicomponent phase-field crystal model for structural transformations in metal alloys}, author={Nana Ofori-Opoku and Vahid Fallah and Michael Greenwood and Shahrzad Esmaeili and Nikolas Provatas}, journal={Physical Review B}, year={2012}, volume={87} }
We present a new phase field crystal model for structural transformations in multi-component alloys. The formalism builds upon the two-point correlation kernel developed in Greenwood et al. for describing structural transformations in pure materials [Phys. Rev. Lett. 105, 045702 (2010)]. We introduce an effective twopoint correlation function for multi-component alloys that uses the local species concentrations to interpolate between different crystal structures. A simplified version of the…
43 Citations
Phase field crystal modeling of ternary solidification microstructures
- Materials Science
- 2015
Combining phase-field crystal methods with a Cahn-Hilliard model for binary alloys.
- Materials SciencePhysical review. E
- 2018
This paper proposes a 2D theoretical framework that couples a Cahn-Hilliard (CH) model, which describes the composition field of a diffusing species, with a phase-field crystal (PFC) model that describes the host-material lattice symmetry, and introduces the transformation coefficients in the PFC method to describe affine lattice deformations.
Phase-Field Crystal Model for Fe Connected to MEAM Molecular Dynamics Simulations
- Materials Science
- 2014
A recently developed phase-field crystal (PFC) model incorporates elasticity and plasticity in the microstructural evolution of materials naturally by representing the density field for the…
Phase-field crystal model for heterostructures
- Materials SciencePhysical Review B
- 2019
Atomically thin 2-dimensional heterostructures are a promising, novel class of materials with groundbreaking properties. The possiblity of choosing the many constituent components and their…
On the quantification of phase-field crystals model for computational simulations of solidification in metals
- Materials Science
- 2017
Simulation of Early-stage Clustering in Ternary Metal Alloys Using the Phase Field Crystal Method
- Materials Science
- 2012
Phase field crystal simulation of crack propagation based on a symmetry mode
- Materials Science, Physics
- 2021
Phase field crystal models have been extensively employed to investigate solidification process of melt, solid-state precipitation, crack propagation, reconstructive phase transitions and…
Phase-field modeling of crystal nucleation in undercooled liquids – A review
- Materials ScienceProgress in Materials Science
- 2019
A Review of Quantitative Phase-Field Crystal Modeling of Solid–Liquid Structures
- Chemistry, Materials Science
- 2015
Phase-field crystal (PFC) is a model with atomistic-scale details acting on diffusive time scales. PFC uses the density field as its order parameter, which takes a constant value in the liquid phase…