奥氏体不锈钢层错能的理论分析-材料学专业论文.docxVIP

太原理工大学硕士研究生学位 论文 STACKlNG FAULT ENERGIES IN AUSTENITIC STAINLESS STEEL: A THEORETICAL STUDY ABSTRACT Stacking fault energies (SFE) is a crucial intrinsic parameter of materials plastic deformation ，and has significient e旺注ct on brittle-to-ductile transition (BDT). At normal temperature ，two of the most common and important plastic deformation modes of rnaterials are dislocation slipping and deformation twinning，which will result in glide band (GB) and deformation twin (DT)， respectively. GB and DT will not result in disorder of c叩stal obviously，however， the SFE，especially intrinsic stacking fault energies (yisf) and unstable stacking fault energies (yus)，caused by crystal slipping，influence nucleation ，movement ， bundle，across glide，dissociation of dislocation. Reducing stacking fault energy of materials is conducive to further stimulate dislocation slipping and twirining， thus irnproving mechanical properties. Nitrogen and nickel belongs to key alloying elements in austenitic stainless steel，and has significient inf1uence on texture and properties of austenitic stainless steel.Through Yisf had been got 丘om experimenta l method ，the criterion for experirnental equipment is high，and cannot be measured the whole SFE curve except for yisf. In addition，the difference of results between various experimental methods is large. The development of calculational science remedy lI1 太原理工大学硕士研究生学位论文 imperfection of experiment. At present ，computational science has been successfully used to ca]culate SFE such as aluminium ，iron，copper，nickel etc. Therefore，the first-pri nciple，which based on density functional theorγ(DFT) ， is used to study the effect of nitrogen and nickel on SFE from atom and electron leve1.The main contents are as follows. Effect of nickel and nitrogen on the stability of austenitic stainless steel was studied. The resu lts show 由at nickel and nitrogen can stabilize austenitic stainless steel，and atom