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Artificial intelligence (AI) in science is a key area of modern research. However, many current machine learning methods lack interpretability, making it difficult to grasp the physical mechanisms behind various phenomena, which hampers progress in related fields. This study focuses on the Poisson's ratio of a hexagonal lattice elastic network as it varies with structural deformation. By employing the Kolmogorov-Arnold Network (KAN), the transition of the network's Poisson's ratio from positive to negative as the hexagonal structural element shifts from a convex polygon to a concave polygon was accurately predicted. The KAN provides a clear mathematical framework that describes this transition, revealing the connection between the Poisson's ratio and the geometric properties of the hexagonal element, and accurately identifying the geometric parameters at which the Poisson's ratio equals zero. This work demonstrates the significant potential of the KAN network to clarify the mathematical relationships that underpin physical responses and structural behaviors.
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http://dx.doi.org/10.1002/advs.202413805 | DOI Listing |
J Chem Phys
September 2025
Instituto de Ciencia de Materiales de Madrid (ICMM), Consejo Superior de Investigaciones Científicas (CSIC), Campus de Cantoblanco, 28049 Madrid, Spain.
The mechanical properties of graphene are investigated using classical molecular dynamics simulations as a function of temperature T and external stress τ. The elastic response is characterized by calculating elastic constants via three complementary methods: (i) numerical derivatives of stress-strain curves, (ii) analysis of cell fluctuation correlations, and (iii) phonon dispersion analysis. Simulations were performed with two interatomic models: an empirical potential and a tight-binding electronic Hamiltonian.
View Article and Find Full Text PDFMed Phys
August 2025
Department of Radiation Oncology, Chongqing University Cancer Hospital, Chongqing, People's Republic of China.
Background: Accurate prediction of lung tumor motion and deformation (LTMD) is essential for precise radiotherapy. However, existing models often rely on static, population-based material parameters, overlooking patient-specific and time-varying lung biomechanics. Personalized dynamic models that capture temporal changes in lung elasticity are needed to improve LTMD prediction and guide treatment planning more effectively.
View Article and Find Full Text PDFSci Rep
September 2025
Department of Physical Chemistry, Faculty of Chemistry, University of Kashan, Kashan, Iran.
Doping h-BN surface with sulfur has been shown to enhance its efficiency in photocatalytic reactions. Here, using density functional theory calculations, the various configurations of S-doped h-BN were investigated in terms of their formation energy, mechanical properties, structural, thermodynamic, and electronic properties, as well as their ability to adsorb metal atoms and hydrogen molecule. The formation energy of S-doped h-BN surfaces is only slightly more positive compared to the pristine surface.
View Article and Find Full Text PDFAdv Mater
September 2025
School of Fashion and Textiles, The Hong Kong Polytechnic University, Hung Hom, Hong Kong, 999077, P. R. China.
Fiber-reinforced polymer composite mechanical metamaterials have emerged as promising candidates for multifunctional structural applications owing to their exceptional strength-to-weight ratios. However, achieving concurrent high stiffness, high strength, and large recoverable strain in such structures remains challenging due to inherent trade-offs between these properties. To address this limitation, a novel Möbius-inspired metamaterial through optimized fiber orientation design is developed.
View Article and Find Full Text PDFMaterials (Basel)
August 2025
School of Information, Guizhou University of Finance and Economics, Guiyang 550025, China.
Metal hydrides are emerging hydrogen-storage materials that have attracted much attention for their stability and practicality. The novel magnesium-based metal hydride MgCsH was investigated using the CALYPSO software (version 7.0).
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