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COMPUTER SIMULATION STUDY ON PRESSURE EFFECT IN AMORPHOUS IRON

SHEN ZHONG-YI YIN XIU-JUN ZHANG YUN HE SHOU-AN HONG JING-XIN

COMPUTER SIMULATION STUDY ON PRESSURE EFFECT IN AMORPHOUS IRON

SHEN ZHONG-YI, YIN XIU-JUN, ZHANG YUN, HE SHOU-AN, HONG JING-XIN
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  • Received Date:  29 October 1986
  • Published Online:  05 May 1987

COMPUTER SIMULATION STUDY ON PRESSURE EFFECT IN AMORPHOUS IRON

  • 1. (1)中国科学院物理研究所; (2)中国科学院物理研究所,现在齐鲁石化公司设计院计算站,山东省淄博市

Abstract: 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.

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