neutrons-ai

Plan an experiment's accessible momentum-transfer (Q) range from wavelength, scattering angle, and detector geometry. Use when a user asks about choosing instrument configuration, Q_min/Q_max, or length scales probed in any neutron scattering experiment.

Guide calibration and geometry corrections for SNAP reduction workflows. Use when selecting or validating instrument calibrations, detector masks, and geometry-sensitive parameters before reduction.

Interpret SNAP high-pressure powder-diffraction data at the analysis stage. Use when performing or reviewing Rietveld analysis of data collected with a paris-edinburgh cell, diamond anvil cell (DAC), or cylinder cell, and you need to identify and handle dataset-specific challenges: pressure-driven structural variation, multiple phases, microstructural effects, strain, low signal statistics, background, and cell-component Bragg scattering.

Rapidly orient a developer or coding agent to the SNAPRed architecture, coding conventions, and extension points. Use when writing new recipes, services, or hooks; debugging calibration or reduction workflows; or consuming SNAPRed as a backend from an external wrapper such as SNAPWrap.

Sanity-check a Rietveld refinement of neutron powder-diffraction data. Use when reviewing refinement strategy, diagnosing poor fit, setting parameter release order, or evaluating goodness-of-fit metrics (Rwp, chi-squared).

Rapidly orient a developer or coding agent to the SNAPWrap architecture, module inventory, and scripting conventions. Use when writing reduction scripts, integrating SNAPWrap with SNAPRed, working with sample-environment masking utilities, or building tooling that consumes the SNAPWrap API.

Adapt SNAP powder-diffraction reduction workflows for sample-environment-driven special cases. Use when a paris-edinburgh cell, diamond anvil cell (DAC), or cylinder cell is in the beam and the standard reduction sequence requires environment-specific masking, notching, or background handling.

Diagnose quality issues in SNAP reduction outputs and propose targeted fixes. Use when reduced diffraction products show artifacts, unstable baselines, inconsistent normalization, or unexpected peak behavior.

Domain knowledge for any sample measured in a liquid medium — solvents, electrolytes, solutions, buffers, aqueous media. Covers D₂O/H₂O and other deuterated-solvent SLD values, isotope-confusion detection, and the common case where the user does NOT state whether the liquid is deuterated (an unspecified solvent may well be deuterated). ACTIVATE THIS SKILL WHENEVER the ambient/fronting medium is a liquid (water, electrolyte, solution, buffer, THF, toluene, etc.) — deuteration need not be mentioned for it to be relevant, because whether a solvent is H-form or D-form dominates the low-Q reflectivity and is the single most common omission in sample descriptions.

Meta-skill for generating and acting on a ranked list of candidate structural changes to a reflectivity model. Always active. Teaches the agent to enumerate plausible structural modifications (adding, removing, splitting, or reshaping layers) at intake time, drawing on the other active domain skills, and to walk that list in rank order when parameter-only refinement stops making progress.

Cross-state co-refinement of neutron reflectometry data — when one sample is measured in two or more physical states (solvent contrast, anneal temperature, swelling step, applied potential, etc.) and the structural model is shared across states. Activated automatically whenever the workflow state has ``len(states) > 1``. Covers when to use it, the default tied parameter set, how to choose ``shared_parameters`` versus ``unshared_parameters``, and common experimental patterns.

Baseline domain knowledge for neutron reflectometry modeling and fitting with refl1d. Provides common material SLD values, chi-squared interpretation guidelines, model complexity rules (BIC), roughness constraints, refl1d API conventions, and general constraints that apply to ALL reflectometry analyses. Always activated.

Domain knowledge for metal oxide interface analysis in reflectometry. Covers native oxide formation on metals (Cu→CuO, Ti→TiO₂), oxide thickness ranges, and rules for when to add or avoid oxide layers. Always use when the sample involves metals, copper, titanium, native oxides, or SiO₂. The user may not have specified the oxide layer, but if the metal is exposed to ambient conditions, it is likely present and should be considered in the model.

Domain knowledge for polymer thin film reflectometry analysis. Covers common polymer SLD values, isotope labeling conventions, typical film thickness ranges, and contrast matching strategies. Use when the sample involves polymers, polystyrene, polymer brushes, block copolymers, or spin-coated films.

Domain knowledge for solid electrolyte interphase (SEI) and battery electrode interface analysis. Covers SEI layer thickness ranges, lithium plating, battery material SLDs, and electrochemical cell conventions. Use when the sample involves batteries, electrochemistry, SEI, lithium plating, anodes, or cathodes.