TY - JOUR
T1 - Thermodynamic re-assessment of the Al-Ir system
AU - Abe, T.
AU - Kocer, C.
AU - Ode, M.
AU - Murakami, H.
AU - Yamabe-Mitarai, Y.
AU - Hashimoto, K.
AU - Onodera, H.
N1 - Funding Information:
The present research is partly supported by Grant-in-Aid for Scientific Research (No. 428-15074220) from Japan Society for the Promotion of Science. The support from Core Research for Evolutional Science and Technology (CREST), Japan Science and Technology Agency, is acknowledged.
PY - 2008/12
Y1 - 2008/12
N2 - The thermodynamic assessment of the Al-Ir binary system was performed using the CALPHAD technique. The B2-AlIr phase was described, using the two sublattice model with the formula (Al,Ir,V a)1/2(Al,Ir,V a)1/2, while Al9Ir2, Al3Ir, Al13Ir4, Al45Ir13, Al28Ir9, and Al2.7Ir compounds were treated as stoichiometric compounds. The fcc-based phases (L10-AlIr, L12-Al3Ir, L12-AlIr3 and A1) were described using the four sublattice model with the formula, (Al,Ir)1/4(Al,Ir)1/4(Al,Ir)1/4(Al,Ir)1/4. From ab initio calculations (VASP) the formation enthalpies of the stable/metastable intermetallic phases involved in the Al-Ir system were estimated. The thermodynamic quantities, such as the phase equilibria, invariant reactions, and formation enthalpies of the intermetallic phases, were calculated using the obtained parameter set, and agree well with experimental data.
AB - The thermodynamic assessment of the Al-Ir binary system was performed using the CALPHAD technique. The B2-AlIr phase was described, using the two sublattice model with the formula (Al,Ir,V a)1/2(Al,Ir,V a)1/2, while Al9Ir2, Al3Ir, Al13Ir4, Al45Ir13, Al28Ir9, and Al2.7Ir compounds were treated as stoichiometric compounds. The fcc-based phases (L10-AlIr, L12-Al3Ir, L12-AlIr3 and A1) were described using the four sublattice model with the formula, (Al,Ir)1/4(Al,Ir)1/4(Al,Ir)1/4(Al,Ir)1/4. From ab initio calculations (VASP) the formation enthalpies of the stable/metastable intermetallic phases involved in the Al-Ir system were estimated. The thermodynamic quantities, such as the phase equilibria, invariant reactions, and formation enthalpies of the intermetallic phases, were calculated using the obtained parameter set, and agree well with experimental data.
KW - Ab initio calculations
KW - Bond coat material
KW - Refractory alloy
KW - Structural vacancy
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U2 - 10.1016/j.calphad.2008.09.014
DO - 10.1016/j.calphad.2008.09.014
M3 - Article
AN - SCOPUS:55549124832
SN - 0364-5916
VL - 32
SP - 686
EP - 692
JO - Calphad: Computer Coupling of Phase Diagrams and Thermochemistry
JF - Calphad: Computer Coupling of Phase Diagrams and Thermochemistry
IS - 4
ER -