A cyclic quenching treatment (CQT) succeeded in turning a 2.3 GPa maraging steel with a Charpy impact energy of 9 J into a new grade with the same strength but a Charpy impact energy of 20 J upon 4 cyclic treatments. The improvement of mechanical properties is attributed to the refinement and increased chemical heterogeneity of the martensitic substructure, rather than the refinement of prior austenite grain (PAG), as well as the Transformation-Induced Plasticity (TRIP) effect facilitated by small austenite grains. The role of local segregation of Ni during CQT in the formation of Ni-rich austenite grains, Ni-rich martensite laths and Ni-poor martensite laths, was investigated and verified by DICTRA simulations. This study highlights the important influence of Ni partitioning behavior during CQT, providing insights into microstructural evolution and mechanical properties.

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In-situ time-resolved small-angle neutron scattering (SANS) experiments were conducted on homogenised cold-rolled ternary Fe-Au-W alloys during aging for 12 h at temperatures of 650 to 700 °C in order to study the kinetics of the nanoscale precipitation. For comparison the precipitation kinetics in the binary counterparts Fe-Au and Fe-W alloys were also studied. In the ternary Fe-Au-W alloy nanoscale Au-rich precipitates were observed by both transmission electron microscopy (TEM) and SANS, while no significant W-rich precipitation was observed. The SANS pattern of the cold-rolled Fe-Au-W alloy clearly reveals a preferred orientation for the plate-shaped nanoscale Au-rich precipitates. As these Au-rich precipitates have a fixed orientation relation with the matrix lattice this preferred orientation originates from the texture of the bcc matrix grains, as confirmed by X-ray diffraction (XRD) pole figure measurements. The effect of texture on the nuclear and the magnetic SANS signal during the precipitation kinetics was included in the data analysis. This enables us to monitor the temperature dependence of the precipitation kinetics for the Au-rich precipitates in the Fe-Au-W alloy during aging at temperatures of 650, 675 and 700 °C. It is found that an increase in aging temperature results in a faster kinetics and a lower final precipitate fraction.

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Recycling-oriented alloy design is a crucial part of material sustainability, as it reduces the need for raw material extraction and minimises environmental impact. This requires that scraps be reused or repurposed effectively, even when the scraps are co-mingled and have higher costs for further sorting and separation. In this work, we explore an alloy design concept by creating a compositionally flexible domain that can recycle multiple alloy grades and yet maintain relatively consistent properties across chemical variations. This is demonstrated through the Fe-Cr-Ni-Mn system to identify compositionally flexible austenitic stainless steels (CF-ASS) and accommodate the recycling of mixed austenitic stainless steel scraps. Alloys within the nominal composition spaces exhibit relatively consistent mechanical properties and corrosion resistance despite significant variations in different alloy compositions. We illustrate how we can utilise the compositionally flexible austenitic stainless steels to recycle mixed 200 and 300-series stainless steel and ferronickel scraps, demonstrating its practical viability. While this demonstration focuses on the stainless steel system, the underlying principles can be extended to other systems related to mixed scrap recycling.

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This paper elucidates the link between the near-wake development of a circular cylinder coated with a porous material in a low Mach-number flow and the related aerodynamic sound attenuation. It accomplishes this by formulating the cylinder flow-induced noise as a diffraction problem. The necessity for such an approach is driven by experimental evidence obtained through acoustic beamforming and particle-image-velocimetry measurements, which reveal that the dominant noise sources for a coated cylinder are not localised on the body surface but rather in the wake, specifically at the outbreak position of the shedding instability. The acoustic field at the vortex-shedding frequency can be hence modelled by considering a compact lateral quadrupole at this location and employing an exact Green's function tailored to a cylindrical geometry. Because of the diffraction of the sound waves radiated by the quadrupolar source on the cylinder surface, the resulting far-field directivity pattern resembles that of a dipole. The study demonstrates that the porous coating has the two-fold effect of decreasing the strength of the point quadrupole in the wake and moving its origin further downstream, reducing, in turn, the efficiency of the sound scattering. Consequently, the diffracted part of the acoustic field, which dominates the far-field noise for a bare cylinder in accordance with classical theory, provides a contribution that is comparable to the direct part. The results eventually indicate that quadrupolar sources must be considered to accurately predict the noise radiated from a porous-coated cylinder, even at low Mach numbers.

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For decades, solid solution strengthening with up to 9 wt.% Ni has been the only successful strategy to obtain high strength and high impact toughness in bcc-structured (ferritic or tempered martensitic) cryogenic steels. Until now coherent nano-precipitates, an effective strengthening agent at room temperature, cannot be used to improve properties at cryogenic temperatures. Here, a new type of Mo-rich nano-B2 precipitates formed in a 6.5 wt.% Ni steel upon doping with 0.2 wt.% of Mo is reported. These precipitates are not only fully coherent with the matrix but are also shearable at 77 K. A high precipitate number density in excess of 2 × 10²⁴ m⁻³ has been achieved by an industrially feasible process optimization, which brings both the cryogenic strength and impact toughness of the steel to the same levels as those of 9Ni steels. The Mo-rich B2 precipitation strengthening, therefore, opens a new avenue for the design and development of low-cost high-performance cryogenic steels.

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In recent years, a new class of super saturated binary and ternary alloys have demonstrated the ability for the self-healing of creep-induced voids formed at the grain boundaries. However, a clear understanding of the parameters affecting the self-healing mechanism is still not yet complete. One of the main challenges is understanding the effect of microstructure and micromechanical stresses on the redistribution of the healing-solute and vacancies. To this end, we address this issue using a CALPHAD-informed diffusion model coupled with crystal plasticity. In principle, the approach is general and can be used for any binary Fe–X alloy, but in this work Fe–Au binary system is used since it experimentally showed the best healing efficiency. First, we present a multicomponent diffusion model considering cross and stress-driven diffusion. The effect of stress was also considered on the equilibrium vacancy concentration. To investigate the effect of the micromechanical stresses, a representative volume element (RVE) was obtained using the phase-field method. The results showed that the maximum vacancy concentration is at the grain boundaries (GBs) with the highest hydrostatic tensile stresses. These were also the regions of the highest Au enrichment. A crucial factor to achieve this is the high diffusivity of Au compared to the Fe matrix. Increasing the stresses, lead to an increase both in vacancy and Au concentration. The accompanying increased stress triaxiality is suggested to be the reason for the reduced self-healing efficiency observed in previous experimental studies.

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Covalent organic frameworks (COFs) are ideal platforms to spatially control the integration of multiple molecular motifs throughout a single nanoporous framework. Despite this design flexibility, COFs are typically synthesized using only two monomers. One bears the functional motif for the envisioned application, while the other is used as an inert connecting building block. Integrating more than one functional motif extends the functionality of COFs immensely, which is particularly useful for multistep reactions such as electrochemical reduction of CO2. In this systematic study, we synthesized five Ni(II)- and Zn(II)-porphyrin-based COFs, including two pure component COFs (Ni100 and Zn100) and three mixed Ni/Zn-COFs (Ni75/Zn25, Ni50/Zn50, and Ni25/Zn75). Among these, the Ni50/Zn50-COF exhibited the highest catalytic performance for the electroreduction of CO2 to CO and formate at −0.6 V vs RHE, as was observed in an H-cell. The catalytic performance of the COF catalysts was further extended to a zero-gap membrane electrode assembly (MEA) operation where, utilizing Ni50/Zn50, CH4 was detected along with CO and formate at a high current density of 150 mA cm–2. In contrast, under these conditions predominantly H2 and CO were detected at Ni100 and Zn100 respectively, indicating a clear synergistic effect between the Ni- and Zn-porphyrin units.@en

To achieve an effective design of additively manufacturable Ni superalloys with decent service performance, a hybrid computational design model has been developed, where the strategy to tailor local elemental segregations was integrated within a scheme of minimizing the cracking susceptibility. More specifically, the phase boundary of primary NbC / γ matrix was introduced into the design routine to tune the spatial distribution of critical solutes at an atomic scale, thereby inhibiting the formation of borides and segregation-induced cracking. Based on the output of the design, new grades of Ni superalloy have been developed with excellent additive manufacturability, as confirmed by the robustness of printing parameters in fabricating low-defect-density samples. The capability of the phase boundaries to evenly distribute boron atoms was validated experimentally, and the cracking induced by uncontrolled boron segregation at grain boundaries was effectively prevented. The newly designed alloys showed good tensile properties and decent oxidation resistance at different service temperatures, which are comparable to those of conventionally produced superalloys. The finding that phase boundaries can be employed to prevent undesirable clustering of boron atoms can be extended to manipulate the distributions of other critical elements, which provides a new path for designing novel Ni superalloys with balanced printability and mechanical properties.

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Understanding the trapping and diffusion mechanism of hydrogen in vanadium carbide (VC) precipitates is crucial for exploring the issue of hydrogen embrittlement in steel. Although there is widespread consensus that VC can trap hydrogen, the mechanism by which hydrogen diffuses into VC is still unclear. In this study, we used first-principles calculation methods to study the influence of different spacings of carbon vacancies on the trapping and diffusion of hydrogen in VC. The increase in the number of C vacancies makes it easier for vacancies to trap hydrogen, and hydrogen tend to fill up C vacancies. The diffusion of hydrogen into VC only occurs via neighboring C vacancies at a distance of 0.295 nm (connecting vacancies), leading to a diffusion barrier of 0.63–0.78 eV. This is consistent with experimental results and validates the experimental speculation that the diffusion of hydrogen in VC requires a connecting C vacancy grid.

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The carbon partitioning and lengthening rate of bainitic ferrite (α_b) are excellent experimental parameters to estimate our level of understanding of the mechanism of bainitic transformation from a continuum perspective and our ability to capture it in analytical expressions. For Fe-C alloys and relatively simple steels the classical Zener-Hillert theory captures the bainitic transformation rather well but mispredicts the level of carbon in solution in the bainite and overestimates the lengthening rates for transformations at lower temperatures. To address this issue, this paper presents a new thermo-kinetic model based on the Zener-Hillert theory and the Gibbs energy balance concept to simulate the lengthening behavior of α_b in the Fe-C and low alloyed steels. The model incorporates the effect of the temperature dependent carbon diffusion within the migrating interface via a temperature dependent ferrite/austenite interfacial energy and a temperature dependent diffusion coefficient but does not impose local equilibrium across the interface. The good agreement between the model predictions and nine sets of published experiments indicates that both the carbon supersaturation in α_b and the slower lengthening rate are caused by carbon diffusion within the migrating interface. It is found that the degree of carbon supersaturation in α_b increases significantly with decreasing temperature. Consequently, the enhanced carbon solute drag effect, resulting from carbon diffusion within the interface, strongly retards the lengthening rates of α_b at lower temperatures. Transformation strain is shown to have a modest effect on the lengthening rates but to lower the degree of carbon supersaturation.

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A new route towards strong yet ductile metals via architecting heterogeneities in both structure and metastability is presented. Such heterogeneities are generated and manipulated in a standard stainless steel using a heterogeneous phase transformation (het-PT) strategy, in which focused laser patterning is applied to stimulate site-specific phase transformations. The het-PT processed steel contains periodically arranged stripes of strong martensite and ductile austenite with different grain sizes and metastability. The resulting structural heterogeneity leads to a desirable strain gradient and heterogeneous deformation-induced martensitic transformation during deformation, which effectively accommodate strain localization and enhance work hardening capability in the het-PT-processed steel. These unique features result in an enhanced balance between strength and ductility, outperforming both homogeneously ultrafine-grained and coarse-grained counterparts. The het-PT strategy is expected to be applicable to tailoring structural heterogeneity and metastability in other steels and metals.

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The current study reports in situ TEM observations of the growth of bainitic ferrite in an Fe-0.3C-3Mn-1.5Si-0.15Mo steel held isothermally at 300 °C with a higher spatio-temporal resolution than in previous studies. Significant variations were found in the lengthening rate, with the highest being in excess of 30,000 nm.s⁻¹ while more common lengthening rates of 10–1000 nm.s⁻¹ provided the highest quality observations. Both sheaves with visible sub units and individual laths were observed during growth with the lengthening behaviour of sheaves found to be discontinuous - in the most favourably oriented sheave this could be linked to sub unit behaviour. The transformation behaviour was comparable to that of HT-LSCM observations of bainitic ferrite growth for the most comparable steel compositions and to ‘textbook’ descriptions of the formation of bainite sheaves. In addition, other relevant phenomena were recorded, including the generation and movement of dislocations in the austenite during transformation, the interaction of laths with twin boundaries and the initially slow growth of bainitic ferrite laths.

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The aerodynamic noise radiated by the flow past a cylinder in the subcritical regime can be modeled by a quadrupolar sound source placed at the onset position of the vortex-shedding instability that is scattered by the surface with a dipolar directivity. When the cylinder is coated with a porous material, the intensity of the shed vortices is greatly reduced, determining a downstream shift of the instability-outbreak location. Consequently, sound diffraction is less efficient, and noise is mitigated. In this paper, an innovative design approach for a flow-permeable coating based on a further enhancement of such an effect is proposed. The results of phased-microphone-array measurements show that, once the leeward part of the cover is integrated with components that make the flow within the porous medium more streamlined, the quadrupolar source associated with the vortex-shedding onset is displaced more downstream, yielding additional noise attenuation of up to 10 dB with respect to a uniform coating. Furthermore, the same noise-control mechanism based on the weakening of the sound scattering can be exploited when these components are connected to the bare cylinder without the porous cover. In this case, the mitigation of overall sound pressure levels is comparable to that induced by the coated configurations due to the lack of noise increase produced by the inner flow interacting within the pores of the material. Remarkable sound reductions of up to 10 dB and a potential drag-force decrease are achieved with this approach, which paves the way for disruptive and more optimized noise-attenuation solutions.

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In order to capture and separate CO2 from the air or flue gas streams through nanoporous adsorbents, the influence of the humidity in these streams has to be taken into account as it hampers the capture process in two main ways: (1) water preferentially binds to CO2 adsorption sites and lowers the overall capacity, and (2) water causes hydrolytic degradation and pore collapse of the porous framework. Here, we have used a water-stable polyimide covalent organic framework (COF) in N2/CO2/H2O breakthrough studies and assessed its performance under varying levels of relative humidity (RH). We discovered that at limited relative humidity, the competitive binding of H2O over CO2 is replaced by cooperative adsorption. For some conditions, the CO2 capacity was significantly higher under humid versus dry conditions (e.g., a 25% capacity increase at 343 K and 10% RH). These results in combination with FT-IR studies on equilibrated COFs at controlled RH values allowed us to assign the effect of cooperative adsorption to CO2 being adsorbed on single-site adsorbed water. Additionally, once water cluster formation sets in, loss of CO2 capacity is inevitable. Finally, the polyimide COF used in this research retained performance after a total exposure time of >75 h and temperatures up to 403 K. This research provides insight in how cooperative CO2-H2O can be achieved and as such provides directions for the development of CO2 physisorbents that can function in humid streams.

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In this paper, graphene oxide (GO) modified microcapsules have been developed for use in self-healing Cardanol-based epoxy anti-corrosion coatings on steel substrates. The microcapsules had a polymethyl methacrylate (PMMA) shell, covered with aminated GO flakes and contained either of the two complementary healing agents mixed with nanosized GO flakes. One set of capsules contained epoxidized nanosized GO and Cardanol-based epoxy resin, while the other contained aminated nanosized GO and Cardanol-based amine curing agent. The microcapsules had a narrow size distribution with a peak value of 4 μm. The Cardanol-based coatings containing various fractions of up to 20 wt% microcapsules in their stoichiometric ratio showed excellent anti-corrosion and self-healing properties. FT-IR, XPS, AFM, and Raman spectroscopy were used to characterize the size and chemical composition of the GO. Optical microscopy and SEM were used for morphological characterization. Double cantilever test upon bulk samples showed an excellent load transfer across the fracture plane after only 1 day curing at room temperature. The anti-corrosion properties of the Cardanol-based coating containing the two-component microcapsules were tested using electrochemical impedance spectroscopy (EIS). It was found that, after 60-day immersion in 3.5 wt% NaCl solution, the low-frequency impedance modulus |Z|_0.01Hz of the Cardanol-based coating containing GO-modified microcapsules was three orders of magnitude higher than that of the systems with capsules without GO. After scratching the coating containing 20 wt% GO-modified microcapsules and exposing it to an aqueous 3.5 wt% NaCl solution, the |Z|_0.01Hz of the Cardanol-based coating returned over a period of 7 days to the original value.

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In the present work, we study the effect of quenching and annealing on the ferroelectric and piezoelectric properties at room temperature and elevated temperatures of a new ternary BiFeO₃-PbTiO₃-Li_0.5Bi_0.5TiO₃ bulk piezo ceramic. While sacrificing part of the maximally obtainable piezoelectric constant value, using an optimal heat treatment, a quasi-stable value for the piezoelectric constant of 65 pC/N was obtained irrespective of the annealing temperature. All experimental results point to the direction of unusual defect behavior in this novel ternary system leading to a well-defined metastable state. The quenching and annealing process are completely reversible and can be used in combination with additional chemical modifications to tailor the properties of this new high-temperature piezoelectric ceramic to the intended use conditions.

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In this work, we investigated the piezoelectric properties of BiFeO3-rich (1 − (y + x)) BiFeO3–y PbTiO3–x SrTiO3 (0.1 ≤ x ≤ 0.35; 0.1 ≤ y ≤ 0.3) bulk piezoceramics, as this system could potentially lead to the development of bulk piezoelectric ceramics that are suitable for high-temperature applications (>200 °C). Samples with various levels of PbTiO3 and SrTiO3 were prepared via a conventional solid-state route. X-ray diffraction confirmed a pure perovskite phase for the compositions, which was explored without secondary phases. It was found that the addition of comparable levels of PbTiO3 and SrTiO3 to the BiFeO3 ceramic resulted in higher piezoelectric properties compared to those of the pure BiFeO3 and binary systems. The Curie temperature was significantly reduced by dual doping, with SrTiO3 and PbTiO3 additions resulting in comparable Curie temperature depressions. The locations of the phase boundaries between the cubic, pseudocubic, and rhombohedral crystal structures were determined. The highest piezoelectric properties, including a d33 value of 250 pC/N at room temperature, were obtained for the samples with the composition x = 0.3, y = 0.25, which was close to the cubic–pseudocubic phase boundary in the phase diagram. The temperature dependence of the piezoelectric properties varied depending on the previous thermal history, yet an appropriate heat treatment resulted in an almost temperature-stable d33 value. The ceramic with the lowest temperature sensitivity and a high Curie temperature of 350 °C was found for x = 0.1, y = 0.2 with a d33 value of 60 pC/N at RT and 71 pC/N at 300 °C (after poling at 60 kV/cm and a stabilizing heat treatment). However, the materials developed were still unsuitable for applications at high temperatures due to a rapidly increasing electrical conductivity with increasing temperature.
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Computationally-efficient surrogate models based on a Polynomial Chaos Expansion (PCE) are developed to quantify the uncertainties in the fracture behavior and lifetime of a self-healing thermal barrier coating system (SH-TBC) and a benchmark conventional TBC system. The surrogate models are built using deterministic information from micromechanical finite element simulations of thermal cycling of the systems, which are conducted until failure by spallation. Fracture and healing events are simulated using a cohesive-zone based crack healing model. The thermally-grown oxide layer (TGO) interface amplitude and its growth rate, the diameter and volume fraction of healing particles, and the mean distance of particles from the interface are used as training variables. Statistical characteristics and sensitivity indices are obtained from the trained models. It is found that the interface amplitude is the most significant contributor to the variance in the TBC lifetime, with other parameters displaying a relatively minor influence. Healing particles extend the expected value of TBC lifetime, however they also increase the uncertainty of thermal fatigue life. The analysis of self-healing TBCs exemplifies how PCE-based surrogate models can serve as a powerful tool for deriving design insights in complex material systems.

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A universal numerical model based on the particle size distribution (PSD) approach has been developed for the simulation of precipitation kinetics in multicomponent alloys during isothermal ageing. Nucleation was implemented utilizing the classical nucleation theory (CNT). Growth and coarsening were modeled by a single growth kinetics equation, which is constructed based on the interfacial diffusion flux balance and the capillarity effect. Only partial off-diagonal terms in the diffusion matrix (diffusion of individual components in the matrix) were taken into account in the calculations to minimize the computational cost while coupling with CALPHAD to extract thermodynamics equilibrium around the interface. A new feature of the model is the incorporation of a more realistic spatial site distribution via a Voronoi construction in the characteristic cell, for the purpose of modifying the diffusion distance. Computational predictions of the precipitate dimensions and the precipitation kinetics were compared with the atom probe tomography (APT) measurements on ternary Ni-Al-Cr alloys isothermally aged at 873 K. It is found that the temporal evolution of the dimensions and composition of the precipitates is well captured, as is the dependence on changes in the alloy composition. The new modification with Voronoi construction demonstrates that the overall precipitation kinetics depends on the density and the spatial site distribution of precipitates. The ability to handle sophisticated alloy chemistries by quantitative equations, the compositional sensitivity of microstructural characteristics emerging from the simulation results, and the ability to visualize the spatial distribution of precipitates make the work very promising for multicomponent alloy design and optimization.

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In this research a machine learning model for predicting the rotating bending fatigue strength and the high-throughput design of fatigue resistant steels is proposed. In this transfer prediction framework, machine learning models are first trained to estimate tensile properties (yield strength, tensile strength and elongation) on the basis of composition and critical process conditions. Then, based on the predicted tensile properties, transfer models are trained to estimate fatigue strength. The results are compared with those of a similar model not having such a transfer layer. The transfer prediction framework shows high accuracy for fatigue strength prediction with a remarkably high tolerance to limitations in the amount of calibration data available for training. By combining the transfer prediction framework with evolutionary algorithms, a robust high-throughput alloy design model is achieved requiring only tens of fatigue data points to get a decent reliability. The newly designed steel showed the predicted high fatigue strength. The method as presented here might also be applicable to other alloy design challenges in which only a limited database for the property to be optimized is available.

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