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204 articles for “Atoms”
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Graph Neural Networks for Molecular Scale Property Prediction and Inverse Design of Thermoset Polymer Nanocomposites: A Computational Framework
Abstract: Thermoset polymer nanocomposites exhibit properties that are highly sensitive to molecular scale formulation decisions, yet the vast design space remains largely unexplored because of the high cost of experimental characterisation and fully atomistic simulation. This paper presents TNC GNN, a dual mode graph neural network framework developed for the computational design of thermoset nanocomposite formulations. The forward module employs an attention augmented Message Passing Neural Network with 3D geometric encoding …
Published in Journal of Polymer & Composites · Vol. 14, Issue 4, 2026 Read article
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Synthesis and Characterization of Aminophenyl (p-hydroxyphenyl)Tellurium(IV) Dichlorides
Abstract: The synthesis and characterization of a number of aminophenyl(p-hydroxyphenyl)tellurium(IV) dichlorides with the general formula RR´TeCl₂—where R stands for the p-hydroxyphenyl group and R´ denotes substituted amino aromatic moieties like aniline, N-methylaniline, and N,N-dimethylaniline—are reported in this study. Because of their distinctive structural characteristics, adaptable bonding behavior, and prospective uses in organic synthesis, catalysis, and medicinal chemistry, organotellurium compounds have garnered a lot of interest. The coordination behavior and electrical characteristics …
Published in Journal of Modern Chemistry & Chemical Technology · Vol. 17, Issue 2, 2026 · pp. 01–06 Read article
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A Study on Chemical Composition in Temperature Sensor
Abstract: As the demand for precision thermal monitoring in extreme environments – such as aerospace propulsion systems and micro-electromechanical systems (MEMS) – continues to escalate, the chemical stability of temperature sensing elements has become a critical focal point. This study investigates the correlation between the chemical composition of thin-film resistance temperature detectors (RTDs) and their operational longevity under thermal cycling. By employing X-ray Photoelectron Spectroscopy (XPS) and Energy-Dispersive X-ray Spectroscopy (EDS), …
Published in Journal of Nanoscience, NanoEngineering & Applications · Vol. 16, Issue 2, 2026 · pp. 1–7 Read article
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Recent Advances in Crystalline Materials
Abstract: Crystalline materials are solids in which atoms, ions, or molecules are arranged in a highly ordered, repeating three-dimensional lattice. This well-defined structure gives rise to unique physical, chemical, electrical, optical, thermal, and mechanical properties, making crystalline materials essential for numerous scientific and industrial applications. Advances in materials science, crystal engineering, and nanotechnology have enabled precise control over crystal size, morphology, composition, and defect structures through innovative synthesis techniques. These developments …
Published in International Journal of Crystalline Materials · Vol. 3, Issue 2, 2026 · pp. 14–21 Read article