Search Results (5)

Transition metal trialuminides of the Al₃X type of groups 4 and 5 of the periodic system have reduced density, high melting points, and corrosion resistance. Aluminides with a cubic lattice of the Al₃Sc type can be used as a nucleating phase for aluminum alloys. However, low plasticity and a tetragonal lattice limit their application. In this work, we stabilized the metastable cubic lattice of Al₃X-type aluminides by replacing aluminum with copper. The conditions for the formation of L1₂ metastable aluminides in the Al–Cu–TM (TM: Ti, Zr, Hf) alloys were studied using a wide range of copper concentrations. A high concentration of copper (hypereutectic alloys) is the one of the necessary conditions for the formation of (Al_1−xCu_x)₃Ti, (Al_1−xCu_x)₃Zr, (Al_1−xCu_x)₃Hf aluminides. With an increase in the copper concentration, the number of metastable aluminides sharply increased. The process of their formation strongly depended on the sequence of dissolution of the corresponding components in the melts. The low volume fraction of precipitated titanium aluminides was the result of insufficient supersaturation of α-Al with titanium (at the peritectic temperature) compared to that for alloys with zirconium and hafnium. Under identical synthesis conditions in the crystal lattice of metastable aluminides formed in experimental Al–Cu–Ti, Al–Cu–Zr, Al–Cu–Hf alloys, copper was found to substitute up to 8, 10, and 13 at.% of aluminum, respectively. The crystallographic and dimensional similarities of the lattices in metastable transition metal aluminides and in α-Al suggest their usefulness as modifying additions in aluminum-based alloys. Full article

The Kampmann and Wagner numerical model was adapted in MATLAB to predict the precipitation and growth of Al₃Sc precipitates as a function of starting concentration and heat-treatment steps. This model was then expanded to predict the strengthening in alloys using calculated average precipitate number density, radius, etc. The calibration of this model was achieved with Bayesian optimization, and the model was verified against experimentally gathered hardness data. An analysis of the outputs from this code allowed the development of optimal heat treatments, which were validated experimentally and proven to result in higher final strengths than were previously observed. Bayesian optimization was also used to predict the optimal heat-treatment temperatures in the case of limited heat-treatment times. Full article

The L1₂ type trialuminide compounds Al₃M possess outstanding mechanical properties, which enable them to be ideal for dispersed strengthening phases for the high-strength thermally stable Al based alloys. Ab-initio calculations based on the density functional theory (DFT) were performed to study the structural, electronic, thermal, and thermodynamic properties of L1₂-Al₃M (M = Er, Hf, Lu, Sc, Ti, Tm, Yb, Li, Mg, Zr) structures in Al alloys. The total energy calculations showed that the L1₂ structures are quite stable. On the basis of the thermodynamic calculation, we found that the Yb, Lu, Er, and Tm atoms with a larger atomic radii than Al promoted the thermal stability of the Al alloys, and the thermal stability rank has been constructed as: Al₃Yb > Al₃Lu > Al₃Er > Al₃Tm > Al, which shows an apparent positive correlation between the atomic size and thermal stability. The chemical bond offers a firm basis upon which to forge links not only within chemistry but also with the macroscopic properties of materials. A careful analysis of the charge density indicated that Yb, Lu, Er, and Tm atoms covalently bonded to Al, providing a strong intrinsic basis for the thermal stability of the respective structures, suggesting that the addition of big atoms (Yb, Lu, Er, and Tm) are beneficial for the thermal stability of Al alloys. Full article

The structural properties, elastic anisotropy, electronic structures and work function of D0₂₂-type Al₃TM (TM = Sc, Ti, V, Y, Zr, Nb, La, Hf, Ta) are studied using the first-principles calculations. The results indicate that the obtained formation enthalpy and cohesive energy of these compounds are in accordance with the other calculated values. It is found that the Al₃Zr is the most thermodynamic stable compound. The mechanical property indexes, such as elastic constants, bulk modulus, shear modulus, Young’s modulus, Poisson’s ratio, and Vickers hardness are systematically explored. Moreover, the calculated universal anisotropic index, percent anisotropy and shear anisotropic factors of D0₂₂-type Al₃TM are analyzed carefully. It demonstrates that the shear modulus anisotropy of Al₃La is the strongest, while that of Al₃Ta is the weakest. In particular, the density of states at Fermi level is not zero, suggesting that these phases have metal properties and electrical conductivity. More importantly, the mechanisms of correlation between hardness and Young’s modulus are further explained by the work function. Finally, the experimental design proves that D0₂₂-Al₃Ta has an excellent strengthening effect. Full article

Coating system(s) will be required for Nb-silicide based alloys. Alumina forming alloys that are chemically compatible with the Nb-silicide based alloy substrate could be components of such systems. The intermetallic alloys Nb_1.45Si_2.7Ti_2.25Al_3.25Hf_0.35 (MG5) and Nb_1.35Si_2.3Ti_2.3Al_3.7Hf_0.35 (MG6) were studied in the cast, heat treated and isothermally oxidised conditions at 800 and 1200 °C to find out if they are αAl₂O₃ scale formers. A (Al/Si)_alloy versus Nb/(Ti + Hf)_alloy map, which can be considered to be a map for Multi-Principle Element or Complex Concentrated Nb-Ti-Si-Al-Hf alloys, and a [Nb/(Ti + Hf)]_Nb5Si3 versus [Nb/(Ti + Hf)]_alloy map were constructed making use of the alloy design methodology NICE and data from a previously studied alloy, and were used to select the alloys MG5 and MG6 that were expected (i) not to pest, (ii) to form αAl₂O₃ scale at 1200 °C, (iii) to have no solid solution, (iv) to form only hexagonal Nb₅Si₃ and (v) to have microstructures consisting of hexagonal Nb₅Si₃, Ti₅Si₃, Ti₅Si₄, TiSi silicides, and tri-aluminides and Al rich TiAl. Both alloys met the requirements (i) to (v). The alumina scale was able to self-heal at 1200 °C. Liquation in the alloy MG6 at 1200 °C was linked with the formation of a eutectic like structure and the TiAl aluminide in the cast alloy. Key to the oxidation of the alloys was the formation (i) of “composite” silicide grains in which the γNb₅Si₃ core was surrounded by the Ti₅Si₄ and TiSi silicides, and (ii) of tri-aluminides with high Al/Si ratio, particularly at 1200 °C and very low Nb/Ti ratio forming in-between the “composite” silicide grains. Both alloys met the “standard definition” of high entropy alloys (HEAs). Compared with HEAs with bcc solid solution and intermetallics, the VEC values of both the alloys were outside the range of reported values. The parameters VEC, Δχ and δ of Nb-Ti-Si-Al-Hf coating alloys and non-pesting Nb-silicide based alloys were compared and trends were established. Selection of coating alloys with possible “layered” structures was discussed and alloy compositions were proposed. Full article