Experimental and Simulated Datasets Used in "Strain Mapping of Three-dimensionally Structured Two-dimensional Materials"
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Summary This record contains two datasets used to develop and validate BRIGHT (Bragg-Rod Informed, Gradient-based Height-mapping Technique): an experimental nanobeam 4D-STEM scan of a suspended MoS₂–MoSe₂ lateral heterojunction superlattice, and a simulated nanobeam 4D-STEM dataset of a geometric ripple used for controlled benchmarking. Both datasets are suitable for reproducing the analyses in the manuscript and for independent method development on tilt mapping, topography reconstruction, and tilt-aware planar-strain mapping. Contents 1) Experimental dataset (EMPAD, FEI Titan Themis3 @ 80 keV) File: scan_x256_y256.raw Scan grid: 256 × 256 real-space positions Diffraction size per position: 128 × 128 pixels (EMPAD) Real-space pixel size: 5.152 nm (scan step) Acquisition conditions: Microscope: FEI Titan Themis3 S/TEM, 80 keV Detector: EMPAD Convergence semi-angle: 0.5 mrad Camera length: 720 mm Spot size: 8; Monochromator: 50; Condenser aperture: 20 µm Magnification: 150,000× Total accumulated dose: ~1.7 × 10^2 e⁻/Ų Intended use: empirical validation of tilt extraction, topography reconstruction, and tilt-aware planar strain on a non-planar 2D membrane. 2) Simulated dataset (abTEM) File: simulated_4d_dataset_highRes.npy Area: 196 nm × 196nm Scan grid: 38 × 38 real-space positions Diffraction size per position: 219 × 219 pixels Surface geometry: ripple-like profile; max height ~6.5 nm, max tilt ~23° Simulation settings (abTEM): Acceleration voltage: 80 keV Convergence semi-angle: 1.5 mrad (probe FWHM ~13.82 Å) Slice thickness: 0.5 Å; real-space grid: 512; max scattering angle: 42 mrad Intended use: controlled benchmarking of the BRIGHT pipeline under known geometry. Recommended Software Analysis pipeline: BRIGHT and the supporting 4Denoise Python package, see GitHub/MirelesAdan/4Denoise (center-beam alignment, Bragg-peak detection, CoM re-centering, intensity integration, tilt mapping via kinematic model, height mapping, planar-strain mapping, and tilt-coupled strain correction). Contact For questions about data format or analysis code, please contact:Adan Mireles, Rice University, mireles@rice.edu.
