Science note: Tungsten PFC runs (what you are simulating)

OpenPFC’s tungsten application solves a phase field crystal (PFC) formulation suited to body-centered cubic (BCC)-like order and elasticity on diffusive time scales. It is the main production-style demo for JSON-driven App runs, validated parameters, and large-scale HPC (applications.md, apps/tungsten/README.md).

What a minimal run demonstrates

  • Solidification / ordering from seeds or patterned initial data under fixed or moving boundary models (see sample JSON under apps/tungsten/inputs_json/).

  • Multi-field output (e.g. order parameter and auxiliary fields) written as binary slices when saveat and fields are set (binary_field_io_spec.md).

  • MPI + distributed FFT through the same spectral stack described in app_pipeline.md.

Where to start in the docs

Goal

Document

Run a stock input locally

quickstart.md §2B, tutorials/end_to_end_visualization.md

Understand JSON keys

spectral_app_config_reference.md, app_pipeline.md

Slurm / cluster

tutorials/hpc_slurm_day_one.md, lumi_slurm/README.md

Figures / motivation

showcase.md, root README.md

Literature

The root README.md cites the OpenPFC paper (MSMSE, 2024) for methodology and validation context.