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Heat capacity of η-AlFe (Fe2Al5)

Intermetallics(2016)

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摘要
The heat capacity of Fe2Al5 was calculated using first principle methods and was measured on four compositions between 71.17 at.% Al and 72.17 at.% Al in the temperature range between 235 K and 1073 K. An order/disorder reaction in η-AlFe was found occurring in the range between 523 K and 553 K. Excellent agreement between the calculated and measured cp values were found for the ordered η-AlFe phase whereas the calculated heat capacity is slightly smaller in comparison to the cp of the disordered phase.
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关键词
Aluminides,Order/disorder transformation,Thermodynamic properties,Density functional theory,Ab–initio calculations,Differential scanning calorimetry
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