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晶格常數變化與有序無序轉變類型的關系

Relationship Between Lattice Parameter Variation and Order-Disorder Transformation Type

  • 摘要: 利用EAM勢計算了Ni-Al系合金的有序無序轉變,發現Ni3Al為一級相變,其晶格常數隨長程有序度呈線性變化,而NiAl為二級相變,品格常數則呈非線性變化,此不同的轉變規律是與相變類型有關,而不是完全由有序無序轉變中原子構型力學平衡條件所決定.一級相變晶格常數變化是線性的,二級相變為非線性的.

     

    Abstract: The lattice parameter variation of stoichiometric Ni3Al and NiAl during the order-disorder transformation was studied based on the embedded atom method (EAM). The order-disorder transformation for Ni3Al is of the first order transition, and the lattice parameter changes linearly along with the long range order parameter. NiAl is in the second order transition, and the relationship between the lattice parameter and the long range order parameter is nonlinear. The lattice parameter variation during the order-disorder transformation depends on both the phase transition type and the mechanical equilibrium condition. The lattice parameter should change linearly for the first order transition and nonlinearly for the second order transition.

     

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