COMPUTER SIMULATION OF GRAIN BOUNDARY STRUCTURES IN Ni

金属学报(英文版), 1990, 3(6): 385-392.

COMPUTER SIMULATION OF GRAIN BOUNDARY STRUCTURES IN Ni_3Al

LIN Dongliang , (T.L.Lin) , CHEN Da Shanghai Jiaotong University , Shanghai , China Professor , Dept.of Materials Science , Shanghai Jiaotong University , Shanghai 200030 , China

Keywords： Ni_3Al , null , null , null

The embedded atom type potentials and static relaxation method combined with steepest gra- dient computational technique have been used to simulate the grain boundary cohesive ener- gies,the distribution of electron density and stress field in the grain boundary,region,and oth- er related problems of[100],[110]and[111]symmetric tilt grain boundaries in Ni_3Al with different grain boundary geometrical index and composition.Their relations with the segrega- tion or boron,behaviors or the grain boundary,and especially the stoichiometrical effect of B induced ductility have also been studied and discussed.

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COMPUTER SIMULATION OF GRAIN BOUNDARY STRUCTURES IN Ni_3Al

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