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The time differential perturbed angular correlation method has been used to measure, as a function of temperature, the hyperfine magnetic field at Cd sites in the Heusler alloys Co2MnZ (Z = Si, Ga, Ge, Sn). The hyperfine fields, normalized to the total magnetic moment per formula unit, show an approximately linear trend toward more positive values with increasing lattice parameter.
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We investigate the site substitution scheme of specific alloying elements in ordered compounds and the dependence of site occupancy on compound stoichiometry, alloy concentration. This basic knowledge, and the interactions with other alloying additions are necessary in order to predict and understand the effect of various alloying schemes on the physical properties of a material, its response to various temperature treatments, and the resulting mechanical properties. Many theoretical methods can provide useful but limited insight in this area, since most techniques suffer from constraints in the type of elements and the crystallographic structures that can be modeled. With this in mind, the Bozzolo-Ferrante-Smith (BFS) method for alloys was designed to overcome these limitations, with the intent of providing an useful tool for the theoretical prediction of fundamental properties and structure of complex systems. After a brief description of the BFS method, its use for the determination of site substitution schemes for individual as well as collective alloying additions to intermetallic systems is described, including results for the concentration dependence of the lattice parameter. Focusing on B2 NiAl, FeAl and CoAl alloys, the energetics of Si, Ti, V, Cr, Fe, Co, Ni, Cu, Zr, Nb, Mo, Ru, Hf, Ta and W alloying additions are surveyed. The effect of single additions as well as the result of two simultaneous additions, discussing the interaction between additions and their influence on site preference schemes is considered. Finally, the BFS analysis is extended to ternary L1(sub 2) (Heusler phase) alloys. A comparison between experimental and theoretical results for the limited number of cases for which experimental data is available is also included.
The Bozzolo-Ferrante-Smith (BFS) semiempirical method for alloy energetics is applied to the study of ternary additions to NiAl alloys. A detailed description of the method and its application to alloy design is given. Two different approaches are used in the analysis of the effect of Ti additions to NiAl. First, a thorough analytical study is performed, where the energy of formation, lattice parameter and bulk modulus are calculated for hundreds of possible atomic distributions of Ni, Al and Ti. Substitutional site preference schemes and formation of precipitates are thus predicted and analyzed. The second approach used consists of the determination of temperature effects on the final results, as obtained by performing a number of large scale numerical simulations using the Monte Carlo - Metropolis procedure and BFS for the calculation of the energy at every step in the simulation. The results indicate a sharp preference of Ti for Al sites in Ni-rich NiAl alloys and the formation of ternary Heusler precipitates beyond the predicted solubility limit of 5 at. % Ti. Experimental analysis of three NiAl+Ti alloys confirms the theoretical predictions.
The Bozzolo-Ferrante-Smith (BFS) method for alloy energetics is applied to the study of ternary additions to NiAl. A description of the method and its application to alloy design is given. Two different approaches are used in the analysis of the effect of Ti additions to NiAl. First, a thorough analytical study is performed, where the energy of formation, lattice parameter and bulk modulus are calculated for a large number of possible atomic distributions of Ni, Al and Ti. Substitutional site preference schemes and formation of precipitates are thus predicted and analyzed. The second approach used consists of the determination of temperature effects on the final results, as obtained by performing a number of large scale numerical simulations using the Monte Carlo-Metropolis procedure and BFS for the calculation of the energy at every step in the simulation. The results indicate a sharp preference of Ti for Al sites in Ni-rich NiAl alloys and the formation of ternary Heusler precipitates beyond the predicted solubility limit of 5 at. % Ti. Experimental analysis of three Ni-Al-Ti alloys confirms the theoretical predictions.
Six near stoichiometric, NiAl single-crystal alloys, with 0.05-1.5 at.% of Hf and Zr additions plus Si impurities, were microstructurally analyzed in the as-cast, homogenized, and aged conditions. Hafnium-rich interdendritic regions, containing the Heusler phase (Ni2AlHf), were found in all the as-cast alloys containing Hf. Homogenization heat treatments partially reduced these interdendritic segregated regions. Transmission electron microscopy (TEM) observations of the as-cast and homogenized microstructures revealed the presence of a high density of fine Hf (or Zr) and Si-rich precipitates. These were identified as G-phase, Nil6X6Si7, or as an orthorhombic NiXSi phase, where X is Hf or Zr. Under these conditions the expected Heusler phase (beta') was almost completely absent. The Si responsible for the formation of the G and NiHfSi phases is the result of molten metal reacting with the Si-containing crucible used during the casting process. Varying the cooling rates after homogenization resulted in the refinement or complete suppression of the G and NiHfSi phases. In some of the alloys studied, long-term aging heat treatments resulted in the formation of Heusler precipitates, which were more stable at the aging temperature and coarsened at the expense of the G-phase. In other alloys, long-term aging resulted in the formation of the NiXSi phase. The stability of the Heusler or NiXSi phases can be traced to the reactive element (Hf or Zr) to silicon ratio. If the ratio is high, then the Heusler phase appears stable after long time aging. If the ratio is low, then the NiHfSi phase appears to be the stable phase.
The development of more efficient engines and power plants for future supersonic transports depends on the advancement of new high-temperature materials with temperature capabilities exceeding those of Ni-based superalloys. Having theoretical modelling techniques to aid in the design of these alloys would greatly facilitate this development. The present paper discusses a successful attempt to correlate theoretical predictions of alloy properties with experimental confirmation for ternary NiAl-Ti alloys. The B.F.S. (Bozzolo-Ferrante-Smith) method for alloys is used to predict the solubility limit and site preference energies for Ti additions of 1 to 25 at.% to NiAl. The results show the solubility limit to be around 5% Ti, above which the formation of Heusler precipitates is favored. These results were confirmed by transmission electron microscopy performed on a series of NiAl-Ti alloys.
Small Zr additions are known to substantially affect the deformation behavior and strength of polycrystalline NiAl, yet little information is currently available regarding the high-temperature properties of such alloys. Utilizing prealloyed powder technology, a series of four NiAl alloys have been produced containing from 0.05 to 0.7 at. pct Zr. The creep behavior of these alloys was characterized in compression between 1000 and 1400 K at strain rates ranging from approx. O.1 to 10(exp -9)/ sec. All the Zr-modified alloys were significantly stronger than binary NiAl under lower temperature and faster strain-rate conditions; however, the single-phase materials (Zr less than or equal to 0.1 at. pct) and binary NiAl had similar strengths at high temperatures and slow strain rates. The two-phase NiAl-Ni, AlZr alloys containing 0.3 and 0.7 at. pct Zr had nearly identical strengths. While the two-phase alloys were stronger than the single-phase materials at all test conditions, the degree of microstructural damage in the two-phase alloys due to internal oxidation during testing appeared to increase with Zr level. Balancing the poor oxidation behavior with the consistent strength advantage of the two-phase alloys, it is concluded that optimum elevated-temperature properties could be obtained in Heusler-strengthened NiAl containing between 0.1 and 0.3 at. pct Zr.
NiAl-1Hf single crystals have been shown to be quite strong at 1027 C, with strength levels approaching those of advanced Ni-based superalloys. Initial testing, however, indicated that the properties might not be reproducible. Study of the 1027 C creep behavior of four different NiAl-1Hf single-crystal ingots subjected to several different heat treatments indicated that strength lies in a narrow band. Thus, we concluded that the mechanical properties are reproducible. Recent investigations of the intermetallic NiAl have confirmed that minor alloying additions combined with single-crystal growth technology can produce elevated temperature strength levels approaching those of Ni-based superalloys. For example, General Electric alloy AFN 12 {Ni-48.5(at.%) Al-0.5Hf-1Ti-0.05Ga} has a creep rupture strength equivalent to Rene 80 combined with a approximately 30-percent lower density, a fourfold improvement in thermal conductivity, and the ability to form a self-protective alumina scale in aggressive environments. Although the compositions of strong NiAl single crystals are relatively simple, the microstructures are complex and vary with the heat treatment and with small ingot-toingot variations in the alloy chemistry. In addition, initial testing suggested a strong dependence between microstructure and creep strength. If these observations were true, the ability to utilize NiAl single-crystal rotating components in turbine machinery could be severely limited. To investigate the possible limitations in the creep response of high-strength NiAl single crystals, the NASA Glenn Research Center at Lewis Field initiated an in depth investigation of the effect of heat treatment on the microstructure and subsequent 1027 C creep behavior of [001]-oriented NiAl-1Hf with a nominal chemistry of Ni-47.5Al-1Hf-0.5Si. This alloy was selected since four ingots, grown over a number of years and possessing slightly different compositions, were available for study. Specimens taken from the ingots were subjected to several heat treatment schedules, examined by transmission electron microscopy, and tested in both compression and tension. An example of the microstructure found in a [001]-oriented NiAl-1Hf specimen after a solution treatment at 1317 C for 50 hr followed by air cooling is illustrated in the image on the left, where the NiAl matrix contains a uniform distribution of nanometer-scale Gphase (Ni16Hf6Si7) precipitates. Other heat treating schedules produced microstructures with nanometer-sized G-phase cubes and plates or, in an extreme case, produced a microstructure with all the G-phase converted to Heusler (Ni2AlHf) particles. The results of 1027 C creep strength and strain rate testing are illustrated which summarizes data from tensile and compressive testing of samples cut from all four NiAl-1Hf ingots and subjected to a variety of heat treatment schedules. With one exception, all the strength values lie in a narrow band that spans six orders of magnitude in strain rate. The only factor that produced results outside of this band was the heat treatment schedule that dissolved all the G-phase and replaced it with Heusler precipitates. The results portrayed in this figure lead to the important practical conclusion that the elevated-temperature creep properties of NiAl-1Hf single crystals are reproducible and are not affected by small variations in alloy chemistry from ingot to ingot or by different initial distributions of G-phase in the heat-treated alloy. The only variable in this study that produced a significant and delerious effect on mechanical strength was a post-solution heat treatment that lead to the complete disappearance of the G-phase in favor of Heusler precipitates.