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- W4285600253 endingPage "107541" @default.
- W4285600253 startingPage "107541" @default.
- W4285600253 abstract "• The electromechanical coupling effect in Nb 3 Sn was scale-coupled. • It includes a strain-regulated electronic structure, grain boundary contours at the atomic scale, and strain-modulated superconducting macroscale transition properties . • The linkage between the micro-meso-macro-scales was revealed by the proposed trans-scale model. • Strain-regulated electronic structures control the superconducting transition of single crystals Nb 3 Sn. • Grain boundary deformation amplified this effect, inducing different responses in single- and polycrystal Nb 3 Sn. Based on molecular dynamics (MD) simulations of Nb 3 Sn crystals under high pressure, a physics-based trans-scale model of the superconducting transition of high-pressure Nb 3 Sn is proposed. This model investigates the electromechanical coupling effect of Nb 3 Sn and discusses the effect of grain boundary deformation on electromechanical coupling through simulations. The simulated results demonstrate that the strain-induced electronic structure evolution and accompanying variations in the density of states (DOS) at the Fermi surface control the superconducting transition of single-crystal Nb 3 Sn. This effect is amplified by the stress concentrations at the grain boundary intersections, leading to the obviously different electromechanical responses of high-pressure single-crystal and polycrystal Nb 3 Sn. It was further found that the electromechanical coupling effect in Nb 3 Sn was scale coupled, including a strain-regulated electronic structure, grain boundary contours of strained Nb 3 Sn at the atomic scale, local atom stress distribution, and intrinsic connections between the strain-modulated superconducting and normal-state transport properties (at the macroscale level). The linkage between the micro-meso-macro-scales was qualitatively reproduced by the proposed model, where the three principal strain components and their differences represent the response-controlling parameters. The grain boundary zone was critical to further determine the reversible–irreversible transition of the electromechanical coupling effects in Nb 3 Sn. The proposed analytical and simulation models provided important theoretical guidance for understanding the empirical relation obtained experimentally. Additionally, they presented a method for the parameterization of electromechanical coupling in Nb 3 Sn." @default.
- W4285600253 created "2022-07-16" @default.
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- W4285600253 date "2022-09-01" @default.
- W4285600253 modified "2023-09-24" @default.
- W4285600253 title "Electromechanical coupling in high-pressured superconducting Nb3Sn: analytical and simulation models" @default.
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- W4285600253 doi "https://doi.org/10.1016/j.ijmecsci.2022.107541" @default.
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