CARBON INTERSTITIALS IN IRON: MOLECULAR DYNAMICS STUDY
The effective EAM potential of Fe-C is presented based on the bcc Fe from MAEAM and C from Tersoff potentials developed by Ruda et al. The Johnsons alloy potential is used. The interstitial formation energies of the carbon in octahedral (O) site and tetrahedral (T) site are 1.12eV and 1.42eV respectively. The stable interstitial site of carbon is O site, which is in agreement with the experimental result. The diffusive character of the carbon in Fe is also studied and the activation energy of diffusion of carbon in alpha iron is about 0.3OeV. The lattice distortion around the interstitial carbon in O site is estimated and in good agreement with other researches.
SHU XIAOLIN WANG CHANGYU ZHAO DONGLIANG
Central Iron and Steel Research Institute, Beijing 100081, China Department of Physics, Tsinghua University, Beijing 100084, China Central Iron and Steel Research In
国际会议
The Joint Conference of ICCP6 and CCP2003(第6届国际计算伦理会议)
北京
英文
146-149
2004-05-23（万方平台首次上网日期，不代表论文的发表时间）