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COMPUTER SIMULATIONS OF THE STRUCTURE AND THE TENSILE DEFORMATION OF AMORPHOUS IRON

COMPUTER SIMULATIONS OF THE STRUCTURE AND THE TENSILE DEFORMATION OF AMORPHOUS IRON

Abstract

application/pdf Using Johnson's potential of α-iron, three DRP assemblies constructed by Ichikawa's method for k=1.05, k=1.2, and k=1.4, were relaxed under a free boundary condition. The assembly with k=1.2 was relaxed also by the potential obtained by Pak and Doyama. The PDF of the relaxed model with k=1.2 using Johnson's potential is in excellent agreement with the experimental PDF of the amorphous iron. A simulation of tensile deformation has been also made using Johnson's potential on a realistic model of amorphous iron under the condition of free surface. The internal atomic movements were analyzed by the changes of the mean energy per atom, the mean atomic displacement between given strains, and the projection of all the displacement vectors onto a given plane. It has been directly observed that a slip-like correlated avalanche motion of atoms is accompanied by the plastic deformation. 紀要類(bulletin) 1224211 bytes

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