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Hcp Metal Alloys, The Formation Of Thermal And Structural Stability Maeam Model

Posted on:2003-02-23Degree:MasterType:Thesis
Country:ChinaCandidate:S H LiFull Text:PDF
GTID:2191360092990399Subject:Materials Physics and Chemistry
Abstract/Summary:PDF Full Text Request
Embedded atom method(EAM) is a microcosmic model atom scale, which describes the relationship between the interplaying energe of an atom system and the property, site, electron' effection of the atoms of the system. It was widely used in reseaching of materials and has gotten enormous success. Its furture propective is very high also. Using the Embedded atom method(EAM) established by BangWei Zhang and Wangyu Hu, We calculated sysetmatically enthalpies of formation for binary disordered solid solution Be-Co(Be and Co=Be,Co,Hf,Mg,Re,Ru,Sc,Ti,Y,Zr) and 12 typical order inter-metallic compounds of them, including B2, L10, C11b, C14, C15, C36, A15, DO3, DO19, DO22, DOa , L12. We should Notice that a new method is estabelished by analysing the energy relationship of alloy lattice constant and atom system reciprocity effection which can sysetmatically calculate the lattice constant with the EAM model, instead by the Vegard Law, which overcomes . Using the method, the lattices of the binary disordered solid solution Be-Co(Be and Co=Be,Co,Hf,Mg,Re,Ru,Sc,Ti,Y,Zr) and order inter-metallic compounds of them were sysetmatically calculated. The results are agreement well with experiments data. Using the modified analytic embedded-atom model(EAEAM) for hcp proposed by Wangyu Hu and Bangwei Zhang et al and our mothed, enthalpies of formation for binary disordered solid solution and order inter-metallic compounds of them were sysetmatically calculated. The results calculated in this article are agreement well with that of Miedema thermo-dynamics theroy and experiments, and better than that of other EAM models. In addition, the model are successful for predicting the phase stability of various ordered phases, as the results of the enthalpies of formation for binary order inter-metallic compounds are calcaulated in this issue, the results are agreement well with the experiments reports and Pettifor structure chart.
Keywords/Search Tags:Embedded atom method(EAM),lattice constant,solid solution,enthalpies of alloy formation, HCP metal
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