COMPUTER SIMULATION STUDY ON PRESSURE EFFECT IN AMORPHOUS IRON

By computer simulation, the pressure induced variation in the behavior of amorphous metals is investigated. We used the Lennard-Jones potential, which is fitted with the equation of state of iron, to relax the amorphous model constructed by sequentially stacking the hard sphere together with energy minimization consideration, so as to yield an amorphous iron model containing 1067 atoms with periodic boundary. The variation of RDF of this amorphous iron model under the application of high pressure is also examined. From the obscuring tendency of two splitted sub-peaks in the second maximum of the RDF of the pressurized model, we suggest that the local ordered correlation in the amorphous alloys might be destroyed during compression. The P-V relation of amorphous iron has also been estimated by comparing with the crystalline state.