摘要
The interfacial molecular structure of materials with different lattice constants is simulated by using the method of molecular dynamics(MD).Potential of modified analytical embedded atom method(MAEAM)is used for nominterfacial atoms.To simulate the state of interracial atoms,further modifications are applied to the MAEAM potential based on the first-principle simulation results.It is concluded that a small change of potential may greatly influence the interfacial molecular structure.Void and diffusions can be observed in the simulation results.It is also found that the pre-existed dot defects before bonding can decrease the number of interfacial defects greatly,thereby,can increase the strength of the interface.
基金
Project supported by the National Natural Science Foundation of China(No.10772116)
