The constitution of the ternary system Al-Fe-Si is reinvestigated over the entire composition range by X-ray diffraction (XRD), differential thermal analysis (DTA), and scanning electron microscopy/energy dispersive X-ray (SEM/EDX). The liquidus projection obtained shows equilibria among nine ternary phases. Except for the occurrence of the three additional ternary phases not recognized at the time, the previous work is found to be accurate in most details. In the isothermal section at 550°C, an additional ternary phase occurs for which the indexed X-ray powder diffraction pattern is presented. Crystal structures reported for the other phases are all confirmed.
The synthesis and a joint experimental and theoretical study of the crystal structure and physical properties of the new ternary intermetallic compound TiGePt are presented. Upon heating, TiGePt exhibits an unusual structural phase transition with a huge volume contraction of about 10 %. The transformation is characterized by a strong change in the physical properties, in particular, by an insulator–metal transition. At temperatures below 885 °C TiGePt crystallizes in the cubic MgAgAs (half‐Heusler) type (LT phase, space group F$\bar 4$3m, a=5.9349(2) Å). At elevated temperatures, the crystal structure of TiGePt transforms into the TiNiSi structure type (HT phase, space group Pnma, a=6.38134(9) Å, b=3.89081(5) Å, c=7.5034(1) Å). The reversible, temperature‐dependent structural transition was investigated by in‐situ neutron powder diffraction and dilatometry measurements. The insulator–metal transition, indicated by resistivity measurements, is in accord with band structure calculations yielding a gap of about 0.9 eV for the LT phase and a metallic HT phase. Detailed analysis of the chemical bonding in both modifications revealed an essential change of the Ti–Pt and Ti–Ge interactions as the origin of the dramatic changes in the physical properties.
A thermodynamic optimization for the Al – Mn system is performed by considering reliable literature data and newly measured phase equilibria on the Al-rich side. Using X-ray diffraction, differential thermal analysis, and scanning electron microscopy with energy dispersive X-ray spectroscopy methods, the melting behavior of λ-Al4Mn was correctly elucidated, and two invariant reactions associated with λ-Al4Mn (L + μ-Al4Mn λ-Al4Mn at 721 ± 2 °C and L + λ-Al4Mn Al6Mn at 704 ± 2 °C) are observed. The model Al12Mn4(Al, Mn)10 previously used for Al8Mn5 was modified to be Al12Mn5(Al, Mn)9 based on crystal structure data. In addition, the high-temperature form of Al11Mn4 is included in the assessment. Employing fewer adjustable parameters than previous assessments, the present description of the Al – Mn system yields a better overall agreement with the experimental phase diagram and thermodynamic data. The obtained thermodynamic description for the Al – Mn system is then combined with those in the Al – Mg and Mg – Mn systems to form a basis for a ternary assessment. The thermodynamic parameters for ternary liquid and ternary compound Mn2Mg3Al18 (τ) are evaluated on the basis of critically assessed experimental data. The enthalpy of formation for τ resulting from CALPHAD (CALculation of PHAse Diagrams) approach agrees reasonably with that via first-principles methodology. Comparisons between the calculated and measured phase equilibria in the Al – Mg – Mn system show that the accurate experimental information is satisfactorily accounted for by the present description. A reaction scheme for the whole ternary system is presented for practical applications.
The constitution of the ternary system Al-Mn-Si over the entire composition range is investigated using metallography, X-ray diffraction (XRD), and differential thermal analysis (DTA). Ten stable ternary phase are identified and characterized. Isothermal sections for 550 ЊC and 700 ЊC, the liquidus projection, and a reaction scheme linking them are presented.
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