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Large TiN inclusions in nickel-based superalloys promote micropore formation, compromising the mechanical properties of the alloys. However, current research lacks a comprehensive coupled model that considers both solute element microsegregation and TiN precipitation specifically in nickel-based superalloys. This study investigated TiN precipitation during the solidification of IN718 alloys through a combined thermodynamic and kinetic approach. A modified Clyne-Kurz model was applied to account for multi-element microsegregation, enabling an integrated analysis of both microsegregation and precipitation processes. The results indicated that solute elements in the molten alloy segregated to varying degrees during solidification. At an initial nitrogen concentration of 25 ppm, TiN inclusions precipitated when the solid fraction reached 0.256, eventually resulting in a total TiN precipitation of 64 ppm by the end of solidification, while residual nitrogen in the liquid phase decreased to 1.3 ppm. Increasing the initial nitrogen concentration from 10 ppm to 40 ppm advanced the onset of TiN precipitation and raised the total amount from 16 ppm to 126 ppm. Further analysis indicated that cooling rates of 0.03 °C/s, 0.06 °C/s, and 0.18 °C/s did not significantly affect the final TiN accumulation.

The objective of this study was to investigate how weld overlays with nickel superalloys are important for the integrity, due the high temperatures and corrosive environments that can be experienced in mineral processing environments, of mining and processing equipment. The Ni-Cr-Mo superalloy Inconel 686 overlays are fabricated through automatic gas metal arc welding with variations in arc voltage and travel speed (i.e., heat input), and they have overlap between adjacent weld tracks for applications in the mining and minerals sector. The impact of variations in the process parameters and the size of the weld overlapping on the dilution, solidification morphology, microsegregation, and microhardness were investigated. Both geometric and chemical composition definitions were used to quantify the extent of the weld dilution. Subsequently, the weld geometry and dilution were correlated with the solidification microstructure and phase transformations. The maximum dilutions were measured to be 13.63% (1/2 overlap, 5.96 kJ·cm -1 ) and 15.39% (1/3 overlap, 4.77 kJ·cm -1 ), which shows that less of an overlap increases the dilution level. Scanning electron microscopy and chemical composition analysis revealed that an increase in weld heat input and dilution level led to higher levels of microsegregation for Mo and Cr, as well as the volume fraction of Mo- and Cr-rich phases in the interdendritic/intercellular regions in the overlay layer. Analysis of the weld overlays in the current study revealed strong and unprecedented connections between the weld overlay process conditions, the resultant metallurgy (i.e., dendrite arm spacing, microsegregation, and phase formation), and the hardness of the overlay. It was concluded that the optimal weld overlays in the processing window studied in this investigation were fabricated at mid-level heat inputs (i.e., 4-5 kJ·cm -1 ) and a 1/2 track overlap.

Al-Li-Cu-Mg-Zr alloys are widely used in the aerospace industry for different applications and make an excellent concurrent to high-performance composites. This family of alloys has remarkable properties like low density, high elastic modulus, high strength and specific stiffness, fracture toughness, fatigue crack growth resistance, and improved corrosion resistance. The present work aims to investigate a family of Al-Li alloys by employing suitable characterization techniques such as computer-aided cooling curve analysis and thermal dilatometry to characterize the as-cast alloy. The characterization temperatures of the alloy were obtained and the phase transformation temperatures were concluded as thermal expansion inflection points as well. Furthermore, the homogenization heat treatment effect of the alloy is examined through optical microscopy (OM), scanning electron microscopy (SEM), Energy-dispersive X-ray spectroscopy (EDS), X-ray diffraction (XRD) and Vickers microhardness testing to determine the optimum heat treatment time. The results reveal the formation of δ', δ and β' precipitates in the alloy after different hours of homogenization heat treatment. Notably, our investigation identifies the optimum heat treatment time for the alloy as 26h at 515 °C, resulting in reduced hardness and barely any chemical segregation. These findings contribute to the characterization of as-cast Al-Li alloys and the understanding of microstructure evolution and mechanical properties during homogenization heat treatment that offer a valuable insight for enhancing their performance in aerospace applications., Competing Interests: The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (© 2024 Published by Elsevier Ltd.)

Aluminum-lithium alloys have the potential for use in aerospace applications, and improving their physical, mechanical, and operational characteristics through alloying is a pressing task. Lithium, with a density of 0.54 g/cm 3 , enhances the elastic modulus of aluminum while reducing the weight of the resulting alloys, making them increasingly attractive. Adding transition metal additives to aluminum alloys enhances their strength, heat resistance, and corrosion resistance, due to their modifying effect and grain refinement. The study aimed to investigate the impact of titanium content on the microstructure, corrosion resistance, and hardness of Al-Li alloys. Four alloys were prepared with varying amounts of titanium at 0.05 wt%, 0.1 wt%, 0.5 wt%, and 1.0 wt%. The results showed that the microstructure of the alloy was modified after adding Ti, resulting in a decrease in average grain size to about 60% with the best refinement at 0.05 wt% Ti content. SEM and EDS analysis revealed an irregular net-shaped interdendritic microstructure with an observed microsegregation of Al 3 Li compounds and other trace elements at the grain boundaries. The samples showed casting defects due to the high content of Li in the alloy, which absorbed air during casting, resulting in casting defects such as shrinkage holes. The corrosion resistance test results were low for the samples with casting defects, with the least resistance recorded for a sample containing 0.1 wt% Ti content, with more casting defects. The addition of Ti increased the microhardness of the alloy to an average of 91.8 ± 2.8 HV.

As part of moving our optical pH and dissolved oxygen (DO) optical chemosensors toward industrial applications, we decided to explore a many-sensors-in-one principle. It was tested if physical segregation of the optical sensor components in a single sensor polymer could remove cross-talk and quenching. It was found that a design concept with an oxygen-responsive dye in polymer nanoparticles and a pH-responsive dye in an organically modified siloxane polymer resulted in a robust pH/O 2 dual optical sensor. Individually, the O 2 -sensitive nanoparticles, a known component for optical DO sensing, and the pH sensor are operational. Thus, it was decided to test if nanoparticles enclosed within the pH-sensitive responsive sol-gel (i) could work together if segregated and (ii) could operate with a single intensity signal that is without a reference signal; developments within industrial optical sensor technology indicate that this should be feasible. The prototype optode produced in this work was shown to have a negligible drift over 60 h, bulk diffusion-limited DO response, and independent response to pH and O 2 . On the individual optode, pH calibration was found to show the expected sigmoidal shape and p K a , while the complexity of the calibration function for the DO signal was significant. While the engineering of the sensor device, optics, and hardware are not robust enough to attempt generic sensor calibration, it was decided to demonstrate the design concept in simple fermentation experiments. We conclude that the dual sensor design with the physical segregation of components is viable.

A two-dimensional model based on the Cellular Automaton (CA) technique for simulating free dendritic growth in the binary Al + 5 wt.% alloy was presented. In the model, the local increment of the solid fraction was calculated using a methodology that takes into account changes in the concentration of the liquid and solid phase component in the interface cells during the solidification transition. The procedure of discarding the alloy component to the cells in the immediate vicinity was used to describe the initial, unstable dendrite growth phase under transient diffusion conditions. Numerical simulations of solidification were performed for a single dendrite using cooling rates of 5 K/s, 25 K/s and 45 K/s and for many crystals assuming the boundary condition of the third kind (Newton). The formation and growth of primary and secondary branches as well as the development of component microsegregation in the liquid and solid phase during solidification of the investigated alloy were analysed. It was found that with an increase in the cooling rate, the dendrite morphology changes, its cross-section and the distance between the secondary arms decrease, while the degree of component microsegregation and temperature recalescence in the initial stage of solidification increase. In order to determine the potential of the numerical model, the simulation results were compared with the predictions of the Lipton-Glicksman-Kurz (LGK) analytical model and the experimental solidification tests. It was demonstrated that the variability of the dendrite tip diameter and the growth rate determined in the Cellular Automaton (CA) model are similar to the values obtained in the LGK model. As part of the solidification tests carried out using the Derivative Differential Thermal Analysis (DDTA) method, a good fit of the CA model was established in terms of the shape of the solidification curves as well as the location of the characteristic phase transition temperatures and transformation time. Comparative tests of the real structure of the Al + 5 wt.% Mg alloy with the simulated structure were also carried out, and the compliance of the Secondary Dendrite Arm Spacing (SDAS) parameter and magnesium concentration profiles on the cross-section of the secondary dendrites arms was assessed.

A combination of coating deposition and consequent ion implantation could be beneficial in wear-resistant antifriction surface design and modification. In the present paper, the effects of low-energy 60 keV Si-ion implantation on multinanolayered CrN/ZrN grown on a stainless-steel substrate have been investigated. Complementary experimental (X-ray diffraction, high-resolution transmission electron microscopy, energy-dispersive spectroscopy, secondary ion mass spectrometry) and theoretical (first-principles) methods have been employed to investigate the structure, phase, and composition under a 1 × 10 -17 cm -2 irradiation dose. This study has revealed a moderate radiation-tolerance of the CrN/ZrN system, with a 26 nm bilayer period, where the effective ion range after irradiation was below 110 nm. Within the ion range, a decrease in composition homogeneity and structure crystallinity has been found. Si negative ions have been distributed asymmetrically with peak concentrations (10 and 6%) occupying the interfaces between the CrN and ZrN layers. First-principles investigations of the CrN/ZrN(001) heterostructures were carried out to validate the experimental results, which showed that the alignment of Si-rich interfaces closer to chromium layers is a consequence of the lower substitution energy of CrN rather than ZrN. Thus, strong Si-Cr bindings and difference in displacement energies of ZrN and CrN have been attributed as the main factors in Si-rich interface formation. The pin-on-ball tribological test results have exposed the enhancement in wear resistance and the friction coefficient of nanoscale coating via amorphous Si particles descending from interfacial areas and acting as a third-body.

In this study, the microstructure, precipitations, and microsegregation in the laser additive manufactured thin-wall structure of a single-crystal superalloy are synthetically characterized. The influence of a subsequent heat treatment on the microstructure and precipitations is discussed. The results show that under the given processing conditions, the single-crystal microstructure is regenerated perfectly with small misorientation angles in the thin-wall structure. The crystal morphology shows obvious diversity and instability with the incremental height of thin-wall structure. With the increase of manufacturing height, both the primary and secondary dendritic arm spacings of epitaxial columnar dendrites first increase rapidly and then reach a dynamic balanced state. The distribution of precipitations and pores keeps symbiosis in the interdendritic region and shows periodic band characteristic with high density in the band region and low density in the inner region of plate layers. The microsegregation of element atoms in the microstructure shows a three-dimensional network distribution. The concentration of element atoms keeps good consistency with high value in the three-dimensional network and nearly standard value in the outside region. The subsequent heat treatment process contributes to the occupation of as-processed pores by the expanded mature precipitations with good blocky shape. Further optimization of the heat treatment process for improving the lattice coherency of precipitated γ' phase and γ matrix in the laser additive manufactured single-crystal superalloy is needed and valuable.

Control of the homogenization process is important in obtaining high extrudability and desirable properties in 6xxx aluminum alloys. Three consecutive steps of the process chain were modeled. Microsegregation arising from solidification was described with the Scheil-Gulliver model. Dissolution of Mg 2 Si, Si (diamond) and β-AlFeSi (β-Al 5 FeSi) to α-AlFeSi (α-Al 12 (FeMn) 3 Si) transformation during homogenization have been described with a CALPHAD-based multicomponent diffusion Dual-Grain Model (DGM), accounting for grain size inhomogeneity. Mg 2 Si precipitation and associated strengthening during homogenization cooling were modeled with the Kampmann-Wagner Numerical (KWN) precipitation framework. The DGM model indicated that the fractions of β-AlFeSi and α-AlFeSi exhibit an exact spatial and temporal correspondence during transformation. The predictions are in good agreement with experimental data. The KWN model indicated the development of a bimodal particle size distribution during homogenization cooling, arising from corresponding nucleation events. The associated strengthening, arising from solid solution and precipitation strengthening, was in good agreement with experimental results. The proposed modeling approach is a valuable tool for the prediction of microstructure evolution during the homogenization of 6xxx aluminum alloys, including the often-neglected part of homogenization cooling.

The microsegregation behavior of alloy filler metal 52 (FM 52) was studied using microprobe analysis on two different solidification processes. First, microsegregation was characterized in samples manufactured by directional solidification, and then by gas tungsten arc welding (GTAW). The experimental results were compared with Thermo-Calc calculations to verify their accuracy. It was confirmed that the thermodynamic database predicts most alloying elements well. Once this data had been determined, several tip undercooling calculations were carried out for different solidification conditions in terms of fluid flow and thermal gradient values. These calculations allowed the authors to develop a parametrization card for the constants of the microsegregation model, according to the process parameters (e.g., convection in melt pool, thermal gradient, and growth velocity). A new model of microsegregation, including convection and tip undercooling, is also proposed. The Tong⁻Beckermann microsegregation model was used individually and coupled with a modified Kurz-Giovanola-Trivedi (KGT) tip undercooling model, in order to take into account the convection in the fluid flow at the dendrite tip. Model predictions were compared to experimental results and showed the microsegregation evolution accurately., Competing Interests: The authors declare no conflicts of interest.

Cellular or dendritic microstructures that result as a function of additive manufacturing solidification conditions in a Ni-based melt pool are simulated in the present work using three-dimensional phase-field simulations. A macroscopic thermal model is used to obtain the temperature gradient G and the solidification velocity V which are provided as inputs to the phase-field model. We extract the cell spacings, cell core compositions, and cell tip as well as mushy zone temperatures from the simulated microstructures as a function of V . Cell spacings are compared with different scaling laws that correlate to the solidification conditions and approximated by G - m V - n . Cell core compositions are compared with the analytical solutions of a dendrite growth theory and found to be in good agreement. Through analysis of the mushy zone, we extract a characteristic bridging plane, where the primary γ phase coalesces across the intercellular liquid channels at a γ fraction between 0.6 and 0.7. The temperature and the γ fraction in this plane are found to decrease with increasing V . The simulated microstructural features are significant as they can be used as inputs for the simulation of subsequent heat treatment processes.

Numerical simulations are used in this work to investigate aspects of microstructure and microseg-regation during rapid solidification of a Ni-based superalloy in a laser powder bed fusion additive manufacturing process. Thermal modeling by finite element analysis simulates the laser melt pool, with surface temperatures in agreement with in situ thermographic measurements on Inconel 625. Geometric and thermal features of the simulated melt pools are extracted and used in subsequent mesoscale simulations. Solidification in the melt pool is simulated on two length scales. For the multicomponent alloy Inconel 625, microsegregation between dendrite arms is calculated using the Scheil-Gulliver solidification model and DICTRA software. Phase-field simulations, using Ni-Nb as a binary analogue to Inconel 625, produced microstructures with primary cellular/dendritic arm spacings in agreement with measured spacings in experimentally observed microstructures and a lesser extent of microsegregation than predicted by DICTRA simulations. The composition profiles are used to compare thermodynamic driving forces for nucleation against experimentally observed precipitates identified by electron and X-ray diffraction analyses. Our analysis lists the precipitates that may form from FCC phase of enriched interdendritic compositions and compares these against experimentally observed phases from 1 h heat treatments at two temperatures: stress relief at 1143 K (870 °C) or homogenization at 1423 K (1150 °C).

Part 1 of this two-part investigation presented a multiphase solidification model incorporating the finite diffusion kinetics and ternary phase diagram with the macroscopic transport phenomena (Wu et al., 2013). In Part 2, the importance of proper treatment of the finite diffusion kinetics in the calculation of macrosegregation is addressed. Calculations for a two-dimensional (2D) square casting (50 × 50 mm 2 ) of Fe-0.45 wt.%C-1.06 wt.%Mn considering thermo-solutal convection and crystal sedimentation are performed. The modeling result indicates that the infinite liquid mixing kinetics as assumed by classical models (e.g., the Gulliver-Scheil or lever rule), which cannot properly consider the solute enrichment of the interdendritic or inter-granular melt at the early stage of solidification, might lead to an erroneous estimation of the macrosegregation. To confirm this statement, further theoretical and experimental evaluations are desired. The pattern and intensity of the flow and crystal sedimentation are dependent on the crystal morphologies (columnar or equiaxed); hence, the potential error of the calculated macrosegregation caused by the assumed growth kinetics depends on the crystal morphology. Finally, an illustrative simulation of an engineering 2.45-ton steel ingot is performed, and the results are compared with experimental results. This example demonstrates the model applicability for engineering castings regarding both the calculation efficiency and functionality.

A method incorporating the full diffusion-governed solidification kinetics and the ternary phase diagram into a multiphase volume average solidification model is presented. The motivation to develop such a model is to predict macrosegregation in castings. A key feature of this model, different from most previous ones which usually assume an infinite solute mixing in liquid (e.g. lever rule, Gulliver-Scheil), is that diffusions in both liquid and solid phases are considered. It is known that models with assumption of an infinite liquid mixing lead to erroneous estimation of the solidification path at the initial stage. Here solidification of a ternary alloy (Fe-0.45 wt.%C-1.06 wt.%Mn) is examined. As the two chosen alloy elements (C and Mn) have large differences in the solute partition coefficient, liquidus slope and liquid diffusion coefficient, the solidification path shows differently from those predicted by infinite liquid mixing models. The first part of this two-part investigation evaluates the full diffusion-governed kinetics and its influence on solidification path and microsegregation. Applications of the model for the calculation of solidification and macrosegregation are presented in the accompanying paper [Part 2].