A simple analytic modified embedded atom method (M EAM ) Inciuding a modified term for hcp metals has been developed from the MEAM applied to the fcc and bcc metals. The enthalpiesof formation of all binary alloy syst...A simple analytic modified embedded atom method (M EAM ) Inciuding a modified term for hcp metals has been developed from the MEAM applied to the fcc and bcc metals. The enthalpiesof formation of all binary alloy systems for eight transition hcp metals are calculated with theMEAM. The calculations are in agreement with the experimental data avallable and resultscalculated from the Miedema theory. One can conclude that our MEAM is also effective toapply to the hcp metals and their alloys.展开更多
A simple analytic embedded atom method for bcc Fe and fcc Al metals is used to calculate thethermodynamic properties of the disordered solid solution and ordered intermetallic alloys of Fe aluminides. The thermodynami...A simple analytic embedded atom method for bcc Fe and fcc Al metals is used to calculate thethermodynamic properties of the disordered solid solution and ordered intermetallic alloys of Fe aluminides. The thermodynamic properties, such as the dilute-limit heats of solution, formation enthalpies of disordered solid solutions and intermetallic compounds (Fe3Al in the D03 structuretype, FeAl in the B2 structure type, and Fe13Al3) are in good agreement with the experimentaldata, and with the results calculated using the first principles and Miedema theory.展开更多
文摘A simple analytic modified embedded atom method (M EAM ) Inciuding a modified term for hcp metals has been developed from the MEAM applied to the fcc and bcc metals. The enthalpiesof formation of all binary alloy systems for eight transition hcp metals are calculated with theMEAM. The calculations are in agreement with the experimental data avallable and resultscalculated from the Miedema theory. One can conclude that our MEAM is also effective toapply to the hcp metals and their alloys.
文摘A simple analytic embedded atom method for bcc Fe and fcc Al metals is used to calculate thethermodynamic properties of the disordered solid solution and ordered intermetallic alloys of Fe aluminides. The thermodynamic properties, such as the dilute-limit heats of solution, formation enthalpies of disordered solid solutions and intermetallic compounds (Fe3Al in the D03 structuretype, FeAl in the B2 structure type, and Fe13Al3) are in good agreement with the experimentaldata, and with the results calculated using the first principles and Miedema theory.
