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Register a new userInfluence of composition and heating schedules on compatibility of FeCrAl alloys with high-temperature steam
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FeCrAl alloys are proposed and being intensively investigated as alternative accident tolerant fuel (ATF) cladding for nuclear fission application. Herein, the influence of major alloy elements (Cr and Al), reactive element effect and heating schedules on the oxidation behavior of FeCrAl alloys in steam up to 1500{deg}C was examined. In case of transient ramp tests, catastrophic oxidation, i.e. rapid and complete consumption of the alloy, occurred during temperature ramp up to above 1200{deg}C for specific alloys. The maximum compatible temperature of FeCrAl alloys in steam increases with raising Cr and Al content, decreasing heating rates during ramp period and doping of yttrium. Isothermal oxidation resulted in catastrophic oxidation at 1400{deg}C for all examined alloys. However, formation of a protective alumina scale at 1500{deg}C was ascertained despite partial melting. The occurrence of catastrophic oxidation seems to be controlled by dynamic competitive mechanisms between mass transfer of Al from the substrate and transport of oxidizing gas through the scale both toward the metal/oxide scale interface.
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Increasing pressure on the power industry to reduce carbon emissions has led to increased research into the use of biomass feedstocks. This work investigates the effects of HCl and KCl, key species influencing biomass boiler corrosion, on a laser clad coating of the FeCrAl alloy Kanthal APMT. In-Situ SEM exposure of the coating at 450 oC for 1 h was performed to investigate the initial effects of KCl on the corrosion process. The same coatings were exposed to 250 h exposures in both an air environment and a HCl rich environment. The influence of KCl was investigated in both. Evidence of a slow growing aluminium oxide was observed. It was found that HCl allowed chlorine based corrosion to occur suggesting it can interact from the gas phase. It was also observed that the presence of both HCl and KCl reduced the mass gain compared to KCl in an air environment.
Thermal hysteresis is recognized as one of the main drawbacks for cyclical applications of magnetocaloric and ferromagnetic shape memory materials with first order transformations. As such, the challenge is to develop strategies that improve the compatibility between the phases involved in the transitions and study its influence on thermal hysteresis. With this purpose, we explore the thermal, structural and magnetic properties of the Ni2Mn1-xCuxGa0.84Al0.16 Heusler alloys. The alloys present a thermal hysteresis reduction of ~60% when the Cu content in the compound varies from x = 0.10 to x = 0.25, with a minimum hysteresis width of 6 K being achieved. We applied the geometric non-linear theory of martensite to address the phase compatibility, quantified by the parameter lambda2, the middle eigenvalue of the transformation stretch tensor, and found that the minimum of hysteresis is associated with a better crystallographic compatibility (lambda2 closer to 1) between the austenite and martensite phases. In addition, we show that the valley-like properties of hysteresis found in the Ni2Mn1-xCuxGa0.84Al0.16 compounds is present in several other alloys in the literature. These results provide new pathways to understand as well as to masters the phase compatibility and ultimately achieve a low thermal hysteresis in multifunctional Heusler alloys.
A breakthrough in alloy design often requires comprehensive understanding in complex multi-component/multi-phase systems to generate novel material hypotheses. We introduce a modern data analytics workflow that leverages high-quality experimental data augmented with advanced features obtained from high-fidelity models. Herein, we use an example of a consistently-measured creep dataset of developmental high-temperature alloy combined with scientific alloy features populated from a high-throughput computational thermodynamic approach. Extensive correlation analyses provide ranking insights for most impactful alloy features for creep resistance, evaluated from a large set of candidate features suggested by domain experts. We also show that we can accurately train machine learning models by integrating high-ranking features obtained from correlation analyses. The demonstrated approach can be extended beyond incorporating thermodynamic features, with input from domain experts used to compile lists of features from other alloy physics, such as diffusion kinetics and microstructure evolution.
We investigate the strain-rate-dependent mechanical behavior and deformation mechanisms of a refractory high entropy alloy, Ti29Zr24Nb23Hf24 (at.%), with a single-phase body-centered cubic (BCC) structure. High-temperature compression tests were conducted at temperatures from 700 to 1100{deg}C at strain rates ranging from 10-3 to 10 s-1. A sudden stress drop after yield point was observed at higher temperatures and lower strain rates with the Zener-Holloman parameter, lnZ, in the range of 17.2-20.7. Such a softening behavior can be related to the interaction of dislocations with short-range clustering. However, at higher strain rates or lower temperatures (lnZ>25.0), kink bands were activated being responsible for the continuous strengthening of the alloy in competition with the softening mechanism. Systematic TEM investigations reveal that dislocation walls formed along {110} planes and dislocation loops were observed at a low strain of 6% at a high strain rate of 1 s-1 and 800{deg}C. Kink band induced dynamic recrystallization is evident upon further straining. On the other hand, at low strain rate of 10-3 s-1 and 800{deg}C, discontinuous recrystallization mechanisms become dominant with arrays of dislocations forming in front of the bulged boundaries of parent grains. These sub-grain boundaries eventually turn into high-angle grain boundaries. We also investigate the deformation mechanism of the alloy under extremely high strain rate (103 s-1) at room temperature. The specimen exhibits extensive kink bands with arrays of dislocation walls. As further strained, multiple slip systems can be activated and the interaction of dislocation walls plays a vital role in the strain hardening of the alloy.
Extensive first-principle calculations on embedded clusters containing few O, Y, Ti, and Cr atoms as well as vacancies are performed to obtain interaction parameters to be applied in Metropolis Monte Carlo simulations, within the framework of a rigid lattice model. A novel description using both pair and triple parameters is shown to be more precise than the commonly used pair parameterization. Simulated annealing provides comprehensive data on the energetics, structure and stoichiometry of nm-size clusters at T=0. The results are fully consistent with the experimental finding of negligible coarsening and a high dispersion of the clusters, with the observation that the presence of Ti reduces the cluster size, and with the reported radiation tolerance of the clusters. In alloys without vacancies clusters show a planar structure, whereas the presence of vacancies leads to three-dimensional configurations. Additionally, Metropolis Monte Carlo simulations are carried out at high temperature in order to investigate the dependence of nanocluster composition on temperature. A good agreement between the existing experimental data on the ratios (Y+Ti):O, Y:Ti, (Y+Cr):O, and Y:Cr, and the simulation results is found. In some cases it is even possible to draw the conclusion that the respective alloys contained a certain amount of vacancies, and that the clusters analyzed were frozen-in high-temperature configurations. The comparison of experimental data with those obtained by simulations demonstrates that the assumption of nanoclusters consisting of nonstoichiometric oxides which are essentially coherent with the bcc lattice of the Fe-Cr matrix leads to reasonable results.
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