Microstructure and Properties of Fe3Al-Fe3AlC
                x
               Composite Prepared by Reactive Liquid Processing

Verona, Maria Nalu; Setti, Dalmarino; Paredes, Ramón Sigifredo Cortés

doi:10.1007/s11663-017-1161-z

Cited by 5 publications

(2 citation statements)

References 66 publications

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“…Iron-aluminides are interesting for their possible high-temperature applications due to their oxidation resistance [25], stability in molten salts [26], relatively low density, electrical resistivity and low cost of raw materials [27,28,29]. Their wider use is partly hampered by their environmental embrittlement [30,31,32,33] but there is recently a renewed interest in these materials [25,34,35,36,37,38,39,40,41,42,43], including also Fe-Al-based nanocomposites [44,45,46,47,48,49,50,51,52,53,54,55,56,57]. A subset of these nanocomposites is constituted by so-called superalloys consisting of an ordered Fe3Al intermetallic compound with the D03 structure (see Figure 1) and a disordered solid solution of about 18.75 at.% Al in the Fe matrix, see, e.g., Refs.…”

Section: Introductionmentioning

confidence: 99%

An Ab Initio Study of Vacancies in Disordered Magnetic Systems: A Case Study of Fe-Rich Fe-Al Phases

et al. 2019

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We have performed quantum-mechanical calculations to examine the impact of disorder on thermodynamic, structural and electronic (magnetic) properties of Fe-Al systems with vacancies. A series of supercells was used and their properties were computed employing density-functional theory (DFT) as implemented in the VASP package. Our case study is primarily aimed at a disordered solid solution Fe 81.25 Al 18.75 but we have compared our results also with those obtained for the ordered Fe 3 Al intermetallic compound for which experimental data exist in literature. Both phases are found in Fe-Al-based superalloys. The Fe-18.75at.%Al solid solution was simulated using special quasirandom structures (SQS) in three different disordered states with a different distribution of Al atoms. In particular, we have considered a general disordered case (an A2-like variant), the case without the first nearest neighbor Al-Al pairs (a B2-like distribution of atoms) and also the case without both the first and second nearest neighbor Al-Al pairs (the D0 3 -like variant, in fact, an Fe-rich Fe 3 Al phase). The vacancy formation energies as well as the volumes of (fully relaxed) supercells with vacancies showed a large scatter for the disordered systems. The vacancy formation energies decrease with increasing concentration of Al atoms in the first coordination shell around the vacancy (an anti-correlation) for all disordered cases studied. The computed volumes of vacancies were found significantly lower (by 25–60%) when compared with the equilibrium volume of the missing atoms in their elemental states. Lastly, we have analyzed interactions between the vacancies and the Fe atoms and evaluated vacancy-induced changes in local magnetic moments of Fe atoms.

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Section: Introductionmentioning

confidence: 99%

An Ab Initio Study of Vacancies in Disordered Magnetic Systems: A Case Study of Fe-Rich Fe-Al Phases

et al. 2019

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“…A special sub-class of Fe-Al-based nanocomposites [ 20 , 21 , 22 , 23 , 24 , 25 , 26 , 27 , 28 , 29 , 30 , 31 , 32 , 33 ] are those consisting of two phases, ordered Fe

Al with the D0

structure and a disordered Fe-Al solid solution with about 18.75 at.% Al (see, e.g., Refs. [ 22 , 24 , 34 ]).…”

Section: Introductionmentioning

confidence: 99%

Strength and Brittleness of Interfaces in Fe-Al Superalloy Nanocomposites under Multiaxial Loading: An ab initio and Atomistic Study

et al. 2018

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We present an ab initio and atomistic study of the stress-strain response and elastic stability of the ordered Fe3Al compound with the D03 structure and a disordered Fe-Al solid solution with 18.75 at.% Al as well as of a nanocomposite consisting of an equal molar amount of both phases under uniaxial loading along the [001] direction. The tensile tests were performed under complex conditions including the effect of the lateral stress on the tensile strength and temperature effect. By comparing the behavior of individual phases with that of the nanocomposite we find that the disordered Fe-Al phase represents the weakest point of the studied nanocomposite in terms of tensile loading. The cleavage plane of the whole nanocomposite is identical to that identified when loading is applied solely to the disordered Fe-Al phase. It also turns out that the mechanical stability is strongly affected by softening of elastic constants C′ and/or C66 and by corresponding elastic instabilities. Interestingly, we found that uniaxial straining of the ordered Fe3Al with the D03 structure leads almost to hydrostatic loading. Furthermore, increasing lateral stress linearly increases the tensile strength. This was also confirmed by molecular dynamics simulations employing Embedded Atom Method (EAM) potential. The molecular dynamics simulations also revealed that the thermal vibrations significantly decrease the tensile strength.

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Alternative Air Induction Melt–Remelt Processing of an Fe3Al–C Intermetallic Alloy: Part I—Mechanical Properties and the Effects of Loading Rate, Heat Treatment and Test Temperatures

Malafaia

Maestro

Oliveira³

2021

Inter Metalcast

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Microstructure and Properties of Fe3Al-Fe3AlC x Composite Prepared by Reactive Liquid Processing

Cited by 5 publications

References 66 publications

An Ab Initio Study of Vacancies in Disordered Magnetic Systems: A Case Study of Fe-Rich Fe-Al Phases

An Ab Initio Study of Vacancies in Disordered Magnetic Systems: A Case Study of Fe-Rich Fe-Al Phases

Strength and Brittleness of Interfaces in Fe-Al Superalloy Nanocomposites under Multiaxial Loading: An ab initio and Atomistic Study

Alternative Air Induction Melt–Remelt Processing of an Fe3Al–C Intermetallic Alloy: Part I—Mechanical Properties and the Effects of Loading Rate, Heat Treatment and Test Temperatures

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