Forming mechanism of equilibrium and non-equilibrium metallurgical phases in dissimilar aluminum/steel (Al–Fe) joints

Forming metallurgical phases has a critical impact on the performance of dissimilar materials joints. Here, we shed light on the forming mechanism of equilibrium and non-equilibrium intermetallic compounds (IMCs) in dissimilar aluminum/steel joints with respect to processing history (e.g., the pressure and temperature profiles) and chemical composition, where the knowledge of free energy and atomic diffusion in the Al–Fe system was taken from first-principles phonon calculations and data available in the literature. We found that the metastable and ductile (judged by the presently predicted elastic constants) Al6Fe is a pressure (P) favored IMC observed in processes involving high pressures. The MoSi2-type Al2Fe is brittle and a strong P-favored IMC observed at high pressures. The stable, brittle η-Al5Fe2 is the most observed IMC (followed by θ-Al13Fe4) in almost all processes, such as fusion/solid-state welding and additive manufacturing (AM), since η-Al5Fe2 is temperature-favored, possessing high thermodynamic driving force of formation and the fastest atomic diffusivity among all Al–Fe IMCs. Notably, the ductile AlFe3, the less ductile AlFe, and most of the other IMCs can be formed during AM, making AM a superior process to achieve desired IMCs in dissimilar materials. In addition, the unknown configurations of Al2Fe and Al5Fe2 were also examined by machine learning based datamining together with first-principles verifications and structure predictions. All the IMCs that are not P-favored can be identified using the conventional equilibrium phase diagram and the Scheil-Gulliver non-equilibrium simulations.

Calculation Based on the Formation of Mg2Si and Its Effect on the Microstructure and Properties of Al–Si Alloys

In order to investigate the effect of Mg2Si formation on the microstructure and properties of an Al−Si alloy, the critical point of a hypereutectic Al−17Si−4Cu−Mg alloy was calculated by Pandat software. The calculation results of the equilibrium phase diagram show that the critical point for Mg2Si phase formation for the alloy was obtained when the Mg content was 2.2%. The contents of 0.5 wt.% Mg and 2.5 wt.% Mg were selected as the research object. The content of Mg increased from 0.5 wt.% to 2.5 wt.%, the eutectic Si in the matrix was reduced, and the Chinese character-like Mg2Si phase appeared in the microstructure. In the peak ageing state, in addition to θ” and Q’ phases that were mainly precipitated, there was also needle-like β” precipitation in the 2.5 wt.% Mg content alloy. Larger precipitates were found in 2.5 wt.% content alloys, mainly due to the promotion of the solid solution having the aggregation and segregation of more solute elements in the matrix. The tensile strength, elongation, and hardness of hypereutectic Al−17Si−4Cu−0.5Mg alloy under peak ageing were 331 MPa, 3.11%, and 152.1 HB, respectively. The tensile strength and the elongation decreased while the hardness increased with the 2.5 wt.% Mg content, which is due to the formation of hard and brittle Mg2Si and Al8FeMg3Si, which has a splitting effect on the matrix.

Reductions of Intergranular Corrosion Resistance and Wear Resistance in a Ni-Cr-Mo-Based Superalloy by Aging-Treatment-Induced Precipitation

Ni-Cr-Mo-based superalloy is widely used as a key component in many critical environments. To ensure that the manufacturing process does not impact the long-term service performance of these components, the aging precipitation behavior at different temperatures and its effect on intergranular corrosion (IGC) resistance and wear resistance of a Ni-Cr-Mo-based C276 superalloy were investigated. The equilibrium phase diagram was calculated first using thermodynamic software to confirm the potential phases. Carbides of M6C were found to be formed at grain boundaries after aging at 800–850 °C for short-term treatment. The other two phases (μ phase and P phase) indicated in the phase diagram were not observed for the samples after aging treatment up to 15 h. Furthermore, double loop electrochemical potentiokinetic reactivation (DL-EPR) tests were conducted to examine the IGC resistance. The degree of sensitization increased with the aging time and severe corrosion was found to occur at grain boundaries. For the first time, the influence of aging treatment on the wear behavior of this superalloy has been specifically studied. Concerning the hot processing of Ni-Cr-Mo-based C276 superalloy, these results indicate the importance of avoiding high-temperature heat treatment for long periods.

Forming Mechanism of Equilibrium and Non-equilibrium Metallurgical Phases in Dissimilar Materials: Illustrated With Aluminum/steel (Al-Fe) Joints

Forming metallurgical phases has a critical impact on the performance of dissimilar materials joints. Here, we shed light on the forming mechanism of equilibrium and non-equilibrium intermetallic compounds (IMCs) in the dissimilar aluminum/steel joints with respect to processing history (e.g., the pressure- and temperature-profiles) and chemical composition, where the used knowledge of free energy and atomic diffusion in the Al-Fe system was taken from first-principles phonon calculations and data available in the literature. We found that the metastable while ductile (judged by the presently predicted elastic constants) Al6Fe is a pressure (P) favored IMC observed in the processes involving high pressures. The MoSi2-type Al2Fe is a brittle and a strong P-favored IMC observed at high pressures. The stable, brittle h-Al5Fe2 is the most commonly observed IMC (followed by q-Al13Fe4) in almost all processes, such as fusion/solid-state welding and additive manufacturing (AM), since h-Al5Fe2 is temperature-favored, possessing high thermodynamic driving force of formation and the fastest atomic diffusivity among all Al-Fe IMCs. Notably the ductile AlFe3, the less ductile AlFe, and most of the other IMCs can be formed during AM, making AM a superior process to achieve desired IMCs in dissimilar materials. In addition, the unknown configurations of Al2Fe and Al5Fe2 were also examined by machine learning based datamining together with first-principles verifications and structure predictor. All the IMCs, which are not P-favored, can be identified using the conventional equilibrium phase diagram and the Scheil-Gulliver non-equilibrium simulations.

Physicochemical Characterization and Simulation of the Solid–Liquid Equilibrium Phase Diagram of Terpene-Based Eutectic Solvent Systems

The characterization of terpene-based eutectic solvent systems is performed to describe their solid–liquid phase transitions. Physical properties are measured experimentally and compared to computed correlations for deep eutectic solvents (DES) and the percentage relative error er for the density, surface tension, and refractive index is obtained. The thermodynamic parameters, including the degradation, glass transition and crystallization temperatures, are measured using DSC and TGA. Based on these data, the solid–liquid equilibrium phase diagrams are calculated for the ideal case and predictions are made using the semi-predictive UNIFAC and the predictive COSMO RS models, the latter with two different parametrization levels. For each system, the ideal, experimental, and predicted eutectic points are obtained. The deviation from ideality is observed experimentally and using the thermodynamic models for Thymol:Borneol and Thymol:Camphor. In contrast, a negative deviation is observed only experimentally for Menthol:Borneol and Menthol:Camphor. Moreover, the chemical interactions are analyzed using FTIR and 1H-NMR to study the intermolecular hydrogen bonding in the systems.

Phase Formation, Microstructure and Mechanical Properties of Mg67Ag33 as Potential Biomaterial

The phase and microstructure formation as well as mechanical properties of the rapidly solidified Mg67Ag33 (at. %) alloy were investigated. Owing to kinetic constraints effective during rapid cooling, the formation of equilibrium phases is suppressed. Instead, the microstructure is mainly composed of oversaturated hexagonal closest packed Mg-based dendrites surrounded by a mixture of phases, as probed by X-ray diffraction, electron microscopy and energy dispersive X-ray spectroscopy. A possible non-equilibrium phase diagram is suggested. Mainly because of the fine-grained dendritic and interdendritic microstructure, the material shows appreciable mechanical properties, such as a compressive yield strength and Young’s modulus of 245 ± 5 MPa and 63 ± 2 GPa, respectively. Due to this low Young’s modulus, the Mg67Ag33 alloy has potential for usage as biomaterial and challenges ahead, such as biomechanical compatibility, biodegradability and antibacterial properties are outlined.

Equilibrium phase diagram and thermal responses of charged DNA-virus rod-suspensions at low ionic strengths

The collective behavior of DNA is important for exploring new types of bacteria in the means of detection, which is greatly interested in the understanding of interactions between DNAs in living systems. How they self-organize themselves is a physical common phenomenon for broad ranges of thermodynamic systems. In this work, the equilibrium phase diagrams of charged chiral rods (fd viruses) at low ionic strengths (below a few mM) are provided to demonstrate both replicas of (or self-organized) twist orders and replica symmetry breaking near high concentration glass-states. By varying the ionic strengths, it appears that a critical ionic strength is obtained below 1–2 mM salt, where the twist and freezing of nematic domains diverge. Also, the microscopic relaxation is revealed by the ionic strength-dependent effective Debye screening length. At a fixed low ionic strength, the local orientations of twist are shown by two different length scales of optical pitch, in the chiral-nematic N* phase and the helical domains $$H_{D}$$ H D , for low and high concentration, respectively. RSB occurs in several cases of crossing phase boundary lines in the equilibrium phase diagram of DNA-rod concentration and ionic strength, including long-time kinetic arrests in the presence of twist orders. The different pathways of PATH I, II and III are due to many-body effects of randomized orientations for charged fd rods undergoing long-range electrostatic interactions in bulk elastic medium. In addition, the thermal stability are shown for chiral pitches of the N* phase and the abnormal cooling process of a specific heat in a structural glass. Here, the concentration-driven twist-effects of charged DNA rods are explored using various experimental methods involving image-time correlation, microscopic dynamics in small angle dynamic light scattering, optical activity in second harmonic generation, and differential scanning calorimetry for the glass state.

Microstructure Development in the Bonding Zone of Explosively Welded Ti and Cu Sheets

The interplay of various hardening and softening processes during explosive welding and post-processing annealing have been analysed in titanium/copper bimetallic sheets using scanning electron microscopy and microhardness measurements. Severe plastic deformation and intermetallics’ formation are typical processes leading to hardening, whereas dynamic/static recrystallization and the transformation of amorphous phases into crystalline ones lead to softening. In the as-welded state the interfacial layers of both parent sheets are severely deformed. However, they can undergo intense recrystalization in areas near large melted zones. Inside the melted zones a wide variety of chemical compositions can be detected, however, most of the phases do not appear in the Ti-Cu equilibrium phase diagram. The post-processing annealing at 973 K for 1 h leads to full recrystallization of severely deformed layers of parent sheets and transforms the non-equilibrium phases forming melted zone into the equilibrium TiCu4 and Ti3Cu4 ones via spinodal decomposition. Simultaneously, the growth of four intermetallic layers: Ti2Cu, TiCu, Ti3Cu4, TiCu4 situated along the whole interface was detected.