midas-xaf — Cross-Axis Faceted HEDM (XAF-HEDM)

Design & simulation toolkit for a one-of-a-kind far-field HEDM measurement performed through a cubic diamond anvil cell with a ~15° conical opening on all six faces.

The technique

  • Narrow ω wedges (~16° wide) are collected at ω ≈ 0, ±90, 180° through the four equatorial faces in a given mounting.
  • The cell is disassembled and remounted about an orthogonal axis (90° about the beam) so the previously top/bottom faces reach the equator — giving an orthogonal rotation axis in the crystal frame that fills the first mounting's missing cone.
  • Two faces are measured in both mountings; embedded high-Z fiducials give an independent rigid-body remount registration.
  • Both mountings are merged into a single reciprocal-space reconstruction.

What the toolkit answers

Built on the differentiable midas-diffract forward model, it quantifies — across energy / distance / detector / opening-angle / beam-mode / material knobs — reciprocal-space coverage, spots per grain, Friedel-pair completeness, and above all strain determinability (autograd Jacobian conditioning), including how it degrades with the face opening angle (the 15° vs 20° v2-cell decision).

Physics captured

  • Exit-aperture shadowing: the diffracted beam must clear a face opening whose transmitting cone rotates with ω, so different detector sectors go dark at different ω (exit_model="cone", the default).
  • Orthogonal-axis merge: single-mounting vs merged strain determinability is compared directly (metrics.cross_axis_gain).

Status: alpha — Phase 1 (forward + metrics + sweep). Phase 2 (registration + reconstruction) in progress. See packages/XAF_HEDM_IMPLEMENTATION_PLAN.md.

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Credits

Author: Hemant Sharma

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Data verified by PyPI on Jul 29, 2026
The GitHub source repository was provided by the project maintainers and verified by PyPI at the time of upload. Stars, forks, and open issues/PRs are derived from that repository and have not been independently verified.

License expression

BSD-3-Clause
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Requires

Python >=3.9

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dev plot

Tags

HEDM 3DXRD diamond anvil cell high pressure differentiable physics PyTorch reciprocal space Friedel pairs

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