Thermodynamic and physical properties of FeAl and Fe3Alan atomistic study by EAM simulation

来源 :第十六届全国相图学术会议暨相图与材料设计国际研讨会 | 被引量 : 0次 | 上传用户:cabinwyq
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  With this work we present a newly developed potential for the Fe-Al system,which is based on the analytical embedded atom method (EAM) with long range atomic interactions.The potential yields for the two most relevant phases B2-FeAl and D03-Fe3Al lattice constants,elastic constants,as well as bulk and point defect formation enthalpies,which are in good agreement with experimental and other theoretical data.In addition,the phonon dispersions for B2-FeAl and D03-Fe3Al show a good agreement with available experiments.This indicates that the present EAM potentials of Fe-Al system are suitable for atomistic simulations of structural and kinetic properties for the Fe-Al system.
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