Intrinsic Fracture Nonreciprocity at the Nanoscale
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| Main Authors: | , , , , , , |
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| Format: | Preprint |
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2025
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| _version_ | 1866908635667365888 |
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| author | Zhao, Siwei Ying, Penghua Zhang, Guoqiang Zhou, Ke Yue, Shengying Chen, Yan Liu, Yilun |
| author_facet | Zhao, Siwei Ying, Penghua Zhang, Guoqiang Zhou, Ke Yue, Shengying Chen, Yan Liu, Yilun |
| contents | We reveal intrinsic fracture nonreciprocity, manifesting as directional asymmetry in crack resistance, in two-dimensional heterostructures engineered through lattice-mismatched interfaces. Density-functional theory combined with machine-learning molecular dynamics show that intrinsic lattice mismatch between bonded component crystals imprints asymmetric prestrain states at crack tips, governing bond-breaking thresholds through charge redistribution. The failure criterion obeys a universal exponential scaling law between normalized charge density and bond strain, insensitive to bonding chemistry and local atomic environment. The magnitude of nonreciprocity scales systematically with lattice mismatch, reaching 49% at 10% mismatch. Validation across hexagonal, square, rectangular, and oblique two-dimensional lattices confirms universality, establishing interface strain engineering as a general design principle that bridges electronic structure to nanoscale failure, enabling rational design of damage-tolerant nanostructures. |
| format | Preprint |
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arxiv_https___arxiv_org_abs_2511_04936 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Intrinsic Fracture Nonreciprocity at the Nanoscale Zhao, Siwei Ying, Penghua Zhang, Guoqiang Zhou, Ke Yue, Shengying Chen, Yan Liu, Yilun Materials Science Mesoscale and Nanoscale Physics Chemical Physics We reveal intrinsic fracture nonreciprocity, manifesting as directional asymmetry in crack resistance, in two-dimensional heterostructures engineered through lattice-mismatched interfaces. Density-functional theory combined with machine-learning molecular dynamics show that intrinsic lattice mismatch between bonded component crystals imprints asymmetric prestrain states at crack tips, governing bond-breaking thresholds through charge redistribution. The failure criterion obeys a universal exponential scaling law between normalized charge density and bond strain, insensitive to bonding chemistry and local atomic environment. The magnitude of nonreciprocity scales systematically with lattice mismatch, reaching 49% at 10% mismatch. Validation across hexagonal, square, rectangular, and oblique two-dimensional lattices confirms universality, establishing interface strain engineering as a general design principle that bridges electronic structure to nanoscale failure, enabling rational design of damage-tolerant nanostructures. |
| title | Intrinsic Fracture Nonreciprocity at the Nanoscale |
| topic | Materials Science Mesoscale and Nanoscale Physics Chemical Physics |
| url | https://arxiv.org/abs/2511.04936 |