pfc-util 0.4.0

package for PFC (phase field crystal) simulations

PFC simulation in python

created by michael in 2022/04

pfc_util is a python package for PFC (phase field crystal) simulations.

Dependencies

• numpy

• scipy

• matplotlib

• pyfftw

• torusgrid

• rich

Modules

pfc_util.core - Core module; definitions of PFC free energy functional, state functions, as well as minimizers

pfc_util.extra - Extensions to vanilla PFC. Currently includes pfc6, which is a 6th-order generalization to the PFC functional

pfc_util.toolkit - Static preminimized solid/liquid profiles & utility functions.

Minimizers

The package provides three main means of minimizing/evolving a PFC system:

• Constant chemical potential - The grand potential \(\Omega \equiv F - \mu \int d\mathbf{r} \psi\) is minimized with fixed \(\mu\)

• Stress relaxer - The grand potential density \(\omega \equiv \Omega / V\) is minimized with respect to the density field and system size with fixed \(\mu\)

• Conserved dynamics - The free energy \(F\) is minimized with fixed \(\bar\psi\)