Heat capacity of η-AlFe (Fe2Al5)
Source abstract
Abstract
Abstract 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.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Intermetallics and Advanced Alloy Properties · Metallurgical and Alloy Processes · Thermodynamic and Structural Properties of Metals and Alloys
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (33)
Show source-provided references
1. Thermodynamic investigation of the τ4-Al–Fe–Si intermetallic ternary phase: a density-functional theory study10.1016/j.jallcom.2014.01.234 ↗
2. Intermetallics in the Mg−Ca−Sn ternary system: structural, vibrational, and thermodynamic properties from first principles10.1103/PhysRevB.74.174118 ↗
3. Monoclinic Al2 fe phase, its equilibrium and nonequilibrium formation
4. Density-functional perturbation theory for quasi-harmonic calculations10.2138/rmg.2010.71.3 ↗
5. Structure refinement of the iron-aluminiuml phase with the approximate composition Fe2Al510.1107/S0108768193013989 ↗
6. Phonon-phonon interactions in transition metals10.1103/PhysRevB.84.094302 ↗
7. Dilute magnetism and vibrational entropy in Fe2Al510.1103/PhysRevB.82.174419 ↗
8. Sgte data for pure elements10.1016/0364-5916(91)90030-N ↗
9. Dove · 1993
10. Dove · 2002
11. Thermal stability and elastic properties of intermetallics mg2pb10.1016/j.physb.2009.09.090 ↗
12. Standards, calibration, and guidelines in microcalorimetry. part 2. calibration standards for differential scanning calorimetry (iupac technical report)10.1351/pac200678071455 ↗
13. Quantum espresso: a modular and open-source software project for quantum simulations of materials10.1088/0953-8984/21/39/395502 ↗
14. Elastic: a tool for calculating second-order elastic constants from first principles10.1016/j.cpc.2013.03.010 ↗
15. Temperature-driven phase transitions from first principles including all relevant excitations: the fcc-to-bcc transition in ca10.1103/PhysRevB.84.214107 ↗
16. Refinement of the Fe2Al13 structure and its relationship to the quasihomological homeotypical structures10.1524/zkri.1994.209.6.479 ↗
17. Formation enthalpy of intermetallic phases from al–fe system measured with solution calorimetric method10.1016/j.intermet.2012.02.001 ↗
18. Experimental determination of phase equilibria of al-rich portion in the al-fe binary system10.1016/j.jallcom.2016.01.215 ↗
19. Phase behavior and thermodynamic properties in the system fe–al10.1016/j.calphad.2008.07.010 ↗
20. Magnetic properties of FeAl2 and Fe2Al510.1103/PhysRevB.83.224427 ↗
21. Kattner · 1993 · 12
22. First-principles investigation of the ni-fe-al system10.1016/j.intermet.2005.02.009 ↗
23. The al-rich part of the fe-al phase diagram
24. Structure and stability of Al2 fe and Al5Fe2: first-principles total energy and phonon calculations
25. First-principles determination of the soft mode in cubic zro210.1103/PhysRevLett.78.4063 ↗
26. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
27. Ab initio study of aln: anisotropic thermal expansion, phase diagram, and high-temperature rocksalt to wurtzite phase transition
28. Kristallographische ergebnisse an phasen mit durchdringungsbindung10.1007/BF00590353 ↗
29. Magnetic instability within the series tcu3N (t=Pd, rh, and ru): a first-principles study
30. An assessment of the entire al–fe system including d03 ordering10.1016/j.actamat.2009.02.046 ↗
31. The heat capacity and entropy of lithium silicides over the temperature range from (2 to 873) k10.1016/j.jct.2013.05.018 ↗
32. First-principles calculation of the thermal properties of silver10.1103/PhysRevB.59.965 ↗
33. Structural, electronic and thermo-elastic properties of cu6sn5 and cu5zn8 intermetallic compounds: first-principles investigation10.1016/j.intermet.2009.12.032 ↗