晶格弛豫对FCC金属层错能计算影响.pdfVIP

24 4 ( ) Vol24 No4 2008 8 Journal of Hebei North niversity ( Natural Science Edition) Aug. 2008 FCC 吴喜军, 彭志华, 付茂林 ( 南华大学数理学院, 湖南 衡阳421001) (M AEAM) CuAgAlPb . , , 4 { 111} , ; . . : ; (M AEAM) ; FCC ; ( SFE) : O 483 : A :( 2008) Eff ect of Lattice Relaxation on Calculation of Stacking Fault Energies in FCC Metals W Xijun, PENG Zhihua, F Maolin ( College of Physics and Information Technology, Nanhua niversity, Hengyang 421001, Hunan, China) Abstract: The multilayer relaxations of FCC metals Cu, Ag, Al and Pb resulted by the Stacking Fault, and their Stacking Fault Energies, have been calculated by using the modified atomembedded a nalysis method (MAEAM) . T he results show that, the models of lattice relaxations resulted by stacking fault are alike in these4 metals. That is the 4 {111} planes space will expand, and other planes space will reduce differently. T he lattice relaxations effects on calculating of stacking fault energy are different. So when calculating the stacking fault energies, the effect of lattice relaxation should not be neglected arbi trarily. Key words: lattice relaxation; modified atomembedded analysis method ( MAEAM) ; FCC metals; stacking fault energy (stacking fault energy, SFE) Si Ge) . . Baskes , , EAM , ( MEAM) . . 80 Johnson [3] EAM . ( AEAM) , Pd EAM 10 . Baskes MEAM [ 1] , Pd. 1999 , Zhang , Johnson AEAM , . , Daw Baskes ( embed [2] dedatom method, EAM