Temperature-dependent biaxial tensile properties and fracture mechanisms of graphene-coated silver nanoplates
摘要
This study employs molecular dynamics to systematically investigate the mechanical properties and fracture mechanisms of graphene-wrapped silver nanosheets under biaxial tensile loading at various temperature conditions (100–1100 K). Physical atomic models containing multiple voids and microcracks were constructed, with embedded atom potential (EAM) and CH.airebo potential functions describing the interactions between silver atoms and carbon atoms, respectively. Biaxial tensile simulations were conducted at a constant strain rate (0.01 Å/ps). Results show that temperature non-monotonically affects the yield strength of silver nanosheets, with reduced yield strength at high temperatures (900–1100 K) and low temperature (100 K), while the highest yield strength (approximately 31 GPa) occurs near 273 K. The distribution of defect positions notably influences the fracture mechanism and energy evolution, with 0–90° and 270–0° fan-shaped void distribution models exhibiting different stress–strain relationships and energy evolution characteristics. Analysis of kinetic energy curves reveals that increasing temperature shortens the relaxation time of the system from 2 × 104 to 1 × 104 time steps, accelerates atomic rearrangement at high temperatures, making the material more susceptible to fracture. This research provides a theoretical foundation for understanding the microscopic mechanical behavior of nanomaterials in complex temperature environments, offering valuable reference for designing and optimizing nanostructured materials.
Graphical abstract