250 / 2019-09-19 20:06:30

Orientation-dependent morphology and evolution of interfacial dislocation network in Ni-based superalloys: A molecular dynamics simulation

Ni-based Single-crystal Superalloys; Molecular Dynamics; Orientation; Interfacial Dislocation Network

计算力学新方法，新理论 > 微纳米尺度理论与计算

In this paper, the morphology and evolution of interfacial dislocation networks of (100), (110), and (111) interphase of Ni-based superalloys are simulated by molecular dynamics (MD). Three-dimensional cubic structure and sandwich structure models are chosen to study the orientation dependence of dislocation network morphology and compare the advantages of the models. From the simulations, it is observed that various lattice orientations and model types cause dislocation network morphology differences. Based on the analysis of the average atomic energy and dislocation characteristics, the (100) orientation model possesses a more regular dislocation network, lower energy and better stability than (110) and (111) orientation models after MD relaxation, which are supported by previous experimental and numerical simulations. Moreover, the cubic structure model has lower energy and better stability than the sandwich structure model, it will be helpful to choose a more appropriate and reasonable model for simulating the interfacial dislocation network of Ni-based superalloys.