Fracture mechanisms and suppressed temperature effects of YBCO superconducting materials dominated by grain boundaries

YBa2Cu3O7-δ (YBCO) superconducting materials are typical polycrystalline materials, and the presence of intrinsic grain boundaries (GBs) is the main reason that affects superconductivity, in which high-angle GBs lead to low critical current density. There is no doubt that GBs also play an important role in the mechanical properties and fracture mechanisms of YBCO superconducting materials. In this work, the uniaxial tensile molecular simulations have been performed to investigate the fracture mechanisms of YBCO superconducting materials dominated by different types of GBs. The (1 0 0) single crystal and (1 1 0) twinning boundary models have been employed as comparative references. The results show that the low-angle GBs of YBCO consist of discontinuous dislocation cores, while the high-angle GBs are composed of a series of structural unit arrangements. Meanwhile, Young's modulus and ultimate tensile strength of YBCO can be enhanced by twin boundaries, while the other GBs have different effects on Young's modulus and ultimate tensile strength. In addition, the expansion of dislocation cores and the deformation of characteristic structural units are the main fracture mechanisms. More significantly, a novel temperature effect has been found to be significantly suppressed under the high-angle GBs. These findings not only provide a deep understanding of the GB structures, but may also provide guidance for modulating the mechanical properties of YBCO superconducting materials.