4DMulti is a physics‑guided learning framework that automates multicomponent identification from large‑scale four‑dimensional scanning transmission electron microscopy data. It leverages a 6‑million‑pattern diffraction database, a retrieval‑conditioned latent diffusion transformer (Sim2real) for realistic pattern generation, and a rotation‑invariant convolutional network for phase classification, achieving 98.82% accuracy on a five‑phase benchmark. The method introduces a diffraction‑inferred structural complexity metric and produces single‑nanometer‑resolution structural maps of complex material interfaces such as superconducting heterostructures, corroded alloys, and degraded solid‑state battery interfaces.
arXiv:2609.14348v1 Announce Type: cross Abstract: Heterogeneous interfaces dictate the performance and degradation of functional materials, making it essential to link local structural variations wit...
The paper introduces a ptychography‑supervised learning framework that transforms 4D‑STEM data into real‑time atomic‑resolution phase images. By training a compact model on physics‑constrained reference phase maps from a single AuPd dataset, the method predicts local phase patches directly from diffraction patterns without probe calibration or iterative optimization. The resulting workflow achieves an online latency of ~0.27 ms per probe position, a 1,000‑fold speed‑up over GPU‑accelerated ePIE, and maintains atomic‑scale lattice contrast while generalizing across materials, defocus conditions, and instruments.
The paper presents a cross‑modal learning framework that predicts three‑dimensional dislocation density fields directly from X‑ray diffraction data. By pairing simulated dislocation density fields with virtual diffraction patterns and embedding them into a shared 2‑D latent space via contrastive learning, the authors achieve strong alignment between structural and diffraction representations. Experiments show that model performance improves rapidly with dataset size, reaching near‑saturation with about 500 representative observations out of 10,000, and the predicted structures capture the dominant spatial features of the underlying microstructures.
arXiv:2607. 08470v1 Announce Type: new Abstract: Fully characterizing a crystalline material requires integrating heterogeneous data sources -- atomic structures, diffraction patterns, electronic density of states, and natural language -- each of which captures a different facet of the same physical object.
arXiv:2602. 17176v4 Announce Type: replace-cross Abstract: Crystal structure prediction (CSP), which aims to predict the 3D atomic arrangement of a crystal from its composition, is central to materials discovery and mechanistic understanding.
arXiv:2505. 12650v2 Announce Type: replace-cross Abstract: Reconstructing atomistic crystal structures from a single noisy STEM projection is an ill-posed inverse problem: multiple lattices can explain similar contrast, and purely feed-forward models cannot verify physical validity.
The article reviews strategies for modeling chemical disorder in materials, addressing the gap between experimental descriptions of disorder and the detailed configurations required for atomistic simulations and AI workflows. It evaluates traditional approaches such as mean-field theories, cluster expansion, and Monte Carlo, alongside emerging AI-powered methods like universal interatomic potentials and generative models. The review also discusses how AI can accelerate computational schemes and enable disorder-native capabilities, providing a roadmap for integrating disorder into realistic AI-accelerated materials discovery.
arXiv:2608. 19544v1 Announce Type: cross Abstract: Functionalities of ferroelectric materials are governed by the spatial organization and coupling of polarization, strain, lattice rotation, and structural order accessible via atomically resolved scanning transmission electron microscopy (STEM) images.
arXiv:2607. 10388v1 Announce Type: cross Abstract: Artificial intelligence (AI) is transforming electron microscopy by enabling quantitative analysis of increasingly large and complex datasets for nanoparticle characterization.
arXiv:2606. 14003v1 Announce Type: cross Abstract: Determining the crystal structure of a material from its powder X-ray diffraction (PXRD) pattern is a central challenge in materials science.
arXiv:2609.21593v1 Announce Type: new Abstract: Four-dimensional scanning transmission electron microscopy (4D-STEM) records a two-dimensional diffraction pattern at each electron-probe position, yie...
arXiv:2608. 06448v1 Announce Type: cross Abstract: Recovering a periodic 3D crystal structure from sparse, unindexed electron diffraction (ED) observations is a challenging generative inverse problem.