The grain boundary is an interface and the surface tension is one of its important thermodynamic properties. In this paper, the surface tension of the Σ9 grain boundary for α-Fe at various temperatures and pressures...The grain boundary is an interface and the surface tension is one of its important thermodynamic properties. In this paper, the surface tension of the Σ9 grain boundary for α-Fe at various temperatures and pressures is calculated by means of Computer Molecular Dynamics (CMD). The results agree satisfactorily with the experimental data. It. is shown that the contribution of entropy to surface tension of grain boundary can be ignored.展开更多
基金The project supported by the National Natural Science Foundation of Chinathe Science Foundation of Chinese Academy of Sciences.
文摘The grain boundary is an interface and the surface tension is one of its important thermodynamic properties. In this paper, the surface tension of the Σ9 grain boundary for α-Fe at various temperatures and pressures is calculated by means of Computer Molecular Dynamics (CMD). The results agree satisfactorily with the experimental data. It. is shown that the contribution of entropy to surface tension of grain boundary can be ignored.
