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Related Articles from SNS
Manifold Diffusion for Structure Generation of Transition Metal Complexes
Announce Type: cross Abstract: Transition metal complexes are central to catalysis, drug design, and materials science, with relevant properties strongly sensitive to their three-dimensional geometry. However, the electronic diversity and unconventional bonding environments of transition metal complexes pose a major challenge for accurate structure generation. In this work, we introduce TMCgen, a manifold diffusion machine learning model that efficiently and accurately generates geometries...
Manifold Diffusion for Structure Generation of Transition Metal Complexes
Announce Type: cross Abstract: Transition metal complexes are central to catalysis, drug design, and materials science, with relevant properties strongly sensitive to their three-dimensional geometry. However, the electronic diversity and unconventional bonding environments of transition metal complexes pose a major challenge for accurate structure generation. In this work, we introduce TMCgen, a manifold diffusion machine learning model that efficiently and accurately generates geometries...
Contrastive Augmented Transformer with Domain-specific Enhancement for Robust Multi-scenario Metal Surface Defect Detection
arXiv:2606.01962v1 Announce Type: new Abstract: Metal surface defect detection is critical for maintaining product quality in industrial manufacturing. However, it faces significant challenges, including limited annotated data, difficulty in identifying subtle multi-scale defects, and poor generalization across diverse scenarios. To address these issues, this paper proposes a novel Contrastive Augmented Transformer (CAT) framework for robust defect detection.
Contrastive Augmented Transformer with Domain-specific Enhancement for Robust Multi-scenario Metal Surface Defect Detection
arXiv:2606.01962v2 Announce Type: replace Abstract: Metal surface defect detection is critical for maintaining product quality in industrial manufacturing. However, it faces significant challenges, including limited annotated data, difficulty in identifying subtle multi-scale defects, and poor generalization across diverse scenarios. To address these issues, this paper proposes a novel Contrastive Augmented Transformer (CAT) framework for robust defect detection.
Matching Terahertz and Hall Mobilities as a Hallmark of Intrinsic Charge Transport in Metal-Halide Perovskites
Announce Type: cross Abstract: Charge-carrier transport in soft-lattice materials, including metal-halide perovskites, is often perceived to be highly heterogeneous across different length scales, and influenced by both the intrinsic (dynamic) thermal electronic disorder and extrinsic (static) disorder due to crystal defects, impurities, grain boundaries, and surface states. As a consequence, the reported carrier mobilities obtained by different electrical and optical measurement techniques...
The influence of volumetric shrinkage on the metal solidification process under localized energy deposition
Announce Type: new Abstract: Accurate simulation of metal melting and solidification under localized energy deposition is crucial for the advancement of beam-based manufacturing technologies. This study presents an extended multiphysics model that addresses a critical limitation of prior approaches by incorporating volumetric changes from phase transitions and thermal expansion, in addition to capillary and thermocapillary effects. Validation against the benchmark problems -- including a...
Enhancing Spatial Reasoning in Large Language Models for Metal-Organic Frameworks Structure Prediction
arXiv:2601.09285v2 Announce Type: replace Abstract: Metal-organic frameworks (MOFs) are porous crystalline materials with broad applications such as carbon capture and drug delivery, yet accurately predicting their 3D structures remains a significant challenge. While Large Language Models (LLMs) have shown promise in generating crystal structures, their application to MOFs is hindered by MOFs' high structural complexity arising from the large number of atoms in unit cell. Inspired by the...
Scale-dependent force balance governs transition to the geostrophic regime in liquid metal rotating convection
arXiv:2606.04995v1 Announce Type: new Abstract: Rotating convection in low-Prandtl-number liquid metal drives dynamo action in the Earth's outer core and is central to planetary interior dynamics. It has been proposed that flow regime transitions in rotating convection are controlled by competition between the thermal and Ekman boundary layers. However, through laboratory experiments and direct numerical simulations of rotating liquid-metal convection, we find that this mechanism breaks down...
Optimisation and Precision Tuning of Localised Surface Plasmon Resonance in AuFON Systems
arXiv:2605.31350v1 Announce Type: new Abstract: Metal film on nanosphere (MFON) plasmonic systems have emerged as nanostructures with useful properties for molecular detection. This work presents the optimisation and discussion of the characterisation results of Au-film on nanosphere (AuFON) systems. Through experiments and numerical simulations, the resonance energies of localised surface plasmon modes and the spatial distribution of light on the nanostructured surface were identified.
In situ nanocrystal confinement for efficient blue perovskite LEDs
Abstract Metal halide perovskites have emerged as promising semiconductors for light-emitting diodes (LEDs) owing to their excellent luminescence properties1. However, their performance remains limited, primarily owing to the inherent contradiction between ‘high crystallinity’ and ‘small size’ in the in situ synthesis of perovskite nanocrystals on substrates. Here we report efficient blue perovskite LEDs (PeLEDs) achieved via in situ polymerization-driven nanocrystal confinement to...