mineral-physics

PDIndexer is a powder X-ray / neutron diffraction analysis tool: it displays diffraction profiles, overlays the calculated diffraction lines of known crystals, fits peaks to refine lattice constants, and estimates pressure from the equations of state of standard materials.

IPAnalyzer converts Debye-Scherrer ring images from imaging plates and flat-panel detectors into 1D diffraction profiles, calibrates the measurement geometry, and works with PDIndexer.

Simulate crystallographic preferred orientation evolution in polycrystals

PressureCalculator determines pressure in high-pressure experiments (e.g. diamond anvil cell) from ruby R1 fluorescence, the diamond Raman edge, or the equation of state of standard materials such as gold, platinum, NaCl and periclase.

jcdps files for XRD peakfitting

Reproducibility package: a thermodynamic accounting of Earth's core light elements. A sourced equation-of-state ledger plus chemical-potential partitioning against PREM, with first-principles quasiharmonic validation of the solid endmembers. Code (MIT), Sol-computed data (CC BY 4.0).

Python code for obtain EOS for data.