The excellent mechanical properties of the Ni-based superalloy IN718 mainly result from coherent $γ''$ precipitates. Due to a strongly anisotropic lattice misfit between the matrix and the precipitate phase, the particles exhibit pronounced plate-shaped morphologies. Using a phase-field model, we investigate various influencing factors that determine the equilibrium shapes of $γ"$ precipitates, minimizing the sum of the total elastic and interfacial energy. Upon increasing precipitate phase fractions, the model predicts increasingly stronger particle-particle interactions, leading to shapes with significantly increased aspect ratios. Matching the a priori unknown interfacial energy density to fit experimental $γ"$ shapes is sensitive to the phase content imposed in the underlying model. Considering vanishing phase content leads to 30% lower estimates of the interfacial energy density, as compared to estimates based on realistic phase fractions of 12%. We consider the periodic arrangement of precipitates in different hexagonal and rectangular superstructures, which result from distinct choices of point-symmetric and periodic boundary conditions. Further, non-volume conserving boundary conditions are implemented to compensate for strains due to an anisotropic lattice mismatch between the $γ$ matrix and the $γ''$ precipitate. As compared to conventional boundary conditions, this specifically tailored simulation configuration does not conflict with the systems periodicity and provides substantially more realistic total elastic energies at high precipitate volume fractions. The energetically most favorable superstructure is found to be a hexagonal precipitate arrangement.
Gaussian process regression machine learning with a physically-informed kernel is used to model the phase compositions of nickel-base superalloys. The model delivers good predictions for laboratory and commercial superalloys, with $R^2>0.8$ for all but two components of each of the $γ$ and $γ'$ phases, and $R^2=0.924$ ($\mathrm{RMSE}=0.063$) for the $γ'$ fraction. For four benchmark SX-series alloys the methodology predicts the $γ'$ phase composition with $\mathrm{RMSE}=0.006$ and the fraction with $\mathrm{RMSE}=0.020$, superior to the $0.007$ and $0.021$ respectively from CALPHAD. Furthermor…
The microstructural characteristics of a single crystalline nickel based superalloy (AM1) tested under high temperature fatigue at 950$^\circ$C are reported. For repeated fatigue (R$_\varepsilon$=0) through a range of cycle numbers N with imposed total strain amplitude $Δ\varepsilon^t$, two main types of behaviour are found depending on N and $Δ\varepsilon^t$. This allows a map of microstructures versus the number of cycles N and $Δ\varepsilon^t$ to be constructed. A domain called A presents anisotropic microstructures due either to a partition of the plasticity throughout the k channels, or t…
A novel y-y'-y" dual-superlattice superalloy, with promising mechanical properties up to elevated temperatures was recently reported. The present work employs state of the art chemical and spatial characterization techniques to study the effect systematic additions of Mo, W and Fe and variations in Nb and Al contents have on the phase fraction, thermal stability, elemental partitioning and mechanical properties. Alloys were produced through arc melting followed by heat treatment. Multi-scale characterization techniques and hardness testing were employed to characterize their microstructure, th…
The industrialization of Laser Additive Manufacturing (LAM) is challenged by the undesirable microstructures and high residual stresses originating from the fast and complex solidification process. Non-destructive assessment of the mechanical performance controlling deformation patterning is therefore critical. Here, we use Dark Field X-ray Microscopy (DFXM) to non-destructively map the 3D intragranular orientation and strain variations throughout a surface breaking grain within a directed energy deposition nickel superalloy. DFXM results reveal a highly heterogenous 3D microstructure in terms…
There are still debates regarding the mechanisms that lead to hot cracking in parts build by additive manufacturing (AM) of non-weldable Ni-based superalloys. This lack of in-depth understanding of the root causes of hot cracking is an impediment to designing engineering parts for safety-critical applications. Here, we deploy a near-atomic-scale approach to investigate the details of the compositional decoration of grain boundaries in the coarse-grained, columnar microstructure in parts built from a non-weldable Ni-based superalloy by selective electron-beam melting. The progressive enrichment…
Contemporary powder-based polycrystalline nickel-base superalloys inherit microstructures and properties that are heavily determined by the thermo-mechanical treatments during processing. Here, the influence of a thermal exposure alone to an alloy powder is studied to elucidate the controlling formation mechanisms of the strengthening precipitates using a combination of atom probe tomography and in-situ neutron diffraction. The initial powder comprised a single-phase supersaturated gamma only; from this, the evolution of gamma-prime volume fraction and lattice misfit was assessed. The initial …
A mesoscale study of a single crystal nickel-base superalloy subjected to an industrially relevant process simulation has revealed the complex interplay between microstructural development and the micromechanical behaviour. As sample gauge volumes were smaller than the length scale of the highly cored structure of the parent material from which they were produced, their subtle composition differences gave rise to differing work hardening rates, influenced by varying secondary dendrite arm spacings, gamma-prime phase solvus temperatures and a topologically inverted gamma/gamma-prime microstruct…
Predicting the mechanical failure of parts in service requires understanding their deformation behavior, and associated dynamic microstructural evolution up to the near-atomic scale. Solutes are known to interact with defects generated by plastic deformation, thereby affecting their displacement throughout the microstructure and hence the material mechanical response to solicitation. This effect is studied here in a polycrystalline Ni-based superalloy with two different Nb contents that lead to a significant change in their creep lifetime. Creep testing at 750C and 600 MPa shows that the high-…
The recently developed refractory multi-principle element alloy (MPEA), AlMo$_{0.5}$NbTa$_{0.5}$TiZr, shows an interesting microstructure with cuboidal precipitates of a disordered phase ($β$, bcc) coherently embedded in an ordered phase ($β'$, B2) matrix, unlike the conventional Ni-based superalloys where the ordered phase ($γ'$, L12) is the precipitate phase and the disordered phase ($γ$, fcc) is the matrix phase. It becomes critical to understand the phase transformation pathway (PTP) leading to this microstructure in order to tailor the microstructure for specific engineering applications.…
Co-base superalloys are considered as promising high temperature materials besides the well-established Ni-base superalloys. However, Ni appears to be an indispensable alloying element also in Co-base superalloys. To address the influence of the base elements on the deformation behavior, high-temperature compressive creep experiments were performed on a single crystal alloy series that was designed to exhibit a varying Co/Ni ratio and a constant Al, W and Cr content. Creep tests were performed at 900 °C and 250 MPa and the resulting microstructures and defect configurations were characterized …
In the present work, we propose a novel model coupling phase-field, dislocation density based plasticity and damage. The dislocation density governing equations are constructed based on evolutions of mobile and immobile dislocations. Mechanisms including dislocation multiplication, annihilation, mobile-immobile transfer due to dislocation interactions and block of interfaces are incorporated in the model. Especially, the "swallow-gap" problem surrounding the coarsened second phase, which often appears in dislocation and phase-field coupled simulations, is solved in the present model. Moreover,…
The microstructure of a second-generation nickel base superalloy is studied using X-ray computed tomography (XCT) and scanning electron microscopy (SEM). The as-cast material contains 0.15 (+-0.001) vol% voids and these are distributed in the inter-dendritic region. The volume fraction of the voids increases to 0.21 (+-0.001) vol% after tensile deformation. Surface observations show evidence of dislocation emissions from the void surface, a mechanism possibly facilitates the expansion of the voids and contributes to the increased void volume fraction. Phenomenological parameters such as stress…
The stress-strain curves of most metallic alloys are often described using the relatively simple Ramberg-Osgood relationship. Whilst this description captures the overall stress-strain curve under monotonic tensile loading with reasonable overall accuracy, it often presents significant errors in the immediate post-yield region where the interplay between the elastic and plastic strains is particularly significant. This study proposes and develops a new approach to the description of the tensile stress-strain curve based on the Yield Volume Fraction (YVF) function. The YVF description provides …
The influence of Zr additions (in the form of ZrH2 particles) on the microstructure and mechanical properties of IN718 Ni-based superalloy manufactured by selective laser melting was explored. Fully dense alloys could be obtained by careful selection of the processing parameters. The addition of ZrH2 did not modify the microstructure of the alloy but introduced a dispersion of Zr-rich globular particles of approximately 50 nm in diameter which increased the strength of the as-printed material at ambient (23C) and high temperature (550C). Heat treatments of solubilisation followed by aging led …
Order strengthening in nickel-based superalloys is associated with the extra stress required for dislocations to bypass the $γ'$ precipitates distributed in the $γ$ matrix. A rich variety of bypass mechanism has been identified, with various shearing and Orowan looping processes giving way to climb bypass as the operating conditions change from the low/intermediate temperatures and high stress regime, to the high temperature and low stress regime. When anti phase boundary (APB) shearing and Orowan looping mechanisms operate, the bypass mechanism changes from shearing to looping with increased …
A systematic study of the compression creep properties of a single-crystalline Co-base superalloy (Co-9Al-7.5W-2Ta) was conducted at 950 °C, 975 °C and 1000 °C to reveal the influence of temperature and the resulting diffusion velocity of solutes like Al, W and Ta on the deformation mechanisms. Two creep rate minima are observed at all temperatures indicating that the deformation mechanisms causing these minima are quite similar. Atom-probe tomography analysis reveals elemental segregation to stacking faults, which had formed in the $γ\prime$ phase during creep. Density-functional-theory calcu…
Microstructure characterisation has been greatly enhanced through the use of electron backscatter diffraction (EBSD), where rich maps are generated through analysis of the crystal phase and orientation in the scanning electron microscope (SEM). Conventional EBSD analysis involves raster scanning of the electron beam and the serial analysis of each diffraction pattern in turn. For grain shape, crystallographic texture, and microstructure analysis this can be inefficient. In this work, we present Rapid EBSD, a data fusion approach combining forescatter electron (FSE) imaging with static sparse s…
The effects of diffusional couplings on compositional trajectories and interfacial free energies during phase separation in a quaternary Ni-Al-Cr-Re model superalloy
High-throughput experiments that use combinatorial samples with rapid measurements can be used to provide process-structure-property information at reduced time, cost, and effort. Developing these tools and methods is essential in additive manufacturing where new process-structure-property information is required on a frequent basis as advances are made in feedstock materials, additive machines, and post-processing. Here we demonstrate the design and use of combinatorial samples produced on a commercial laser powder bed fusion system to study 60 distinct process conditions of nickel superalloy…
The article focuses on the effect of alloying and microstructure on formability of advanced high strength steels (AHSSs) processed via quenching and partitioning (Q&P). Three different Q&P steels with different combination of alloying elements and volume fraction of retained austenite are subjected to uniaxial tensile and Nakajima testing. Tensile mechanical properties are determined, and the forming limit diagrams (FLDs) are plotted. Microstructure of the tested samples is analyzed, and dramatic reduction of retained austenite fraction is detected. It is demonstrated that all steels are able …
Here we assess the applicability of graph neural networks (GNNs) for predicting the grain-scale elastic response of polycrystalline metallic alloys. Using GNN surrogate models, grain-averaged stresses during uniaxial elastic tension in Low Solvus High Refractory (LSHR) Ni Superalloy and Ti 7wt%Al (Ti-7Al), as example face centered cubic and hexagonal closed packed alloys, are predicted. A transfer learning approach is taken in which GNN surrogate models are trained using crystal elasticity finite element method (CEFEM) simulations and then the trained surrogate models are used to predict the m…
Fractional composition of large crystallite grains: a unique microstructural parameter to explain conduction behavior in single phase undoped microcrystalline silicon
We present a combined phase field and cohesive zone formulation for hydrogen embrittlement that resolves the polycrystalline microstructure of metals. Unlike previous studies, our deformation-diffusion-fracture modelling framework accounts for hydrogen-microstructure interactions and explicitly captures the interplay between bulk (transgranular) fracture and intergranular fracture, with the latter being facilitated by hydrogen through mechanisms such as grain boundary decohesion. We demonstrate the potential of the theoretical and computational formulation presented by simulating inter- and tr…
In our present publication we will continue studying the effects of the magnetostatic energy on the magnetization behavior of FMSMAs recently started in some our publications. Our method is based on the direct minimization of our new micromagnetic free energy model of FMSMAs taking into account both the magnetic anisotropy energy and the magnetostatic energy contributions associated with the laminated two-variant twin microstructure. Here, our special interest is to investigate a distribution of local magnetizations within both twin variants, their orientation and their dependence on the exter…
The response of materials to dynamical, or shock, loading is important to planetary science, aerospace engineering, and energetic materials. Thermal-activated processes, including chemical reactions and phase transitions, are significantly accelerated by the localization of the energy deposited into hotspots. These results from the interaction of a supersonic wave with the materials microstructure and are governed by complex, coupled processes, including the collapse of porosity, interfacial friction, and localized plastic deformation. These mechanisms are not fully understood and today we lac…
Accurate identification and measurement of the precipitate area by two-stage deep neural networks in novel chromium-based alloys
Queensland University of Technology（昆士兰科技大学）；Data Science Institute, Department of Computing, Imperial College London（帝国理工学院数据科学研究所，计算系）；School of Metallurgy and Materials, University of Birmingham（伯明翰大学冶金与材料学院）；Institute of Advanced Science Facilities, Shenzhen（深圳先进科学设施研究院）；Department of Computer Science, University of York（约克大学计算机科学系）；School of Mathematical Sciences, Tongji University（同济大学数学科学学院）；Department of Earth Science and Engineering, Imperial College London（帝国理工学院地球科学与工程系）
Localization of elastic deformation in strongly anisotropic, porous, linear materials with periodic microstructures: exact solutions and dilute expansions
This work focuses on the effect of soaking time on the microstructure during ultrafast heat treatment of a 50% cold rolled low carbon steel with initial ferritic-pearlitic microstructure. Dilatometry analysis was used to estimate the effect of heating rate on the phase transformation temperatures and to select an appropriate inter-critical temperature for final heat treatments. A thorough qualitative and quantitative microstructural characterization of the heat treated samples is performed using a wide range of characterization techniques. A complex multiphase, hierarchical microstructure cons…
In context of the universal presence of defects in additively manufactured (AM) metals, efficient computational tools are required to rapidly screen AM microstructures for mechanical integrity. To this end, a deep learning approach is used to predict the elastic stress fields in images of defect-containing metal microstructures. A large dataset consisting of the stress response of 100,000 random microstructure images is generated using high-resolution Fast Fourier Transform-based finite element (FFT-FE) calculations, which is then used to train a modified U-Net style convolutional neural netwo…
Three novel precipitation strengthened bcc alloys which exhibit a smooth microstructural gradient with composition have been fabricated in bulk form by induction casting. All three alloys are comprised of a mixture of disordered A2-(Fe, Cr) and L2$_1$-ordered (Ni, Fe)$_{2}$AlTi type phases both as-cast and after long-term annealing at 900 $^{\circ}$C. The ratio of disordered to ordered phase, primary dendrite fraction, and overall microstructural coarseness all decrease as Cr is replaced by Al and Ti. Differences in phase composition are quantified through domain averaged principal component a…
Automated Segmentation of Large Image Datasets using Artificial Intelligence for Microstructure Characterisation, Damage Analysis and High-Throughput Modelling Input
针对阈值法难以分割复杂显微组织的问题，提出基于 nnU-Net 与 GAN 的两种 AI 分割方法，并在双相钢 SEM 图像中验证其泛化性及面向表征、损伤分析和有限元建模的价值。
During grain growth in multiphase system, a convincing understanding on how the evolution kinetics of an individual phase-grains relates to the growth rate of entire microstructure is yet to be achieved. Therefore, in this work, comfortably comprehensible statistical tools are employed to realise the influence of the evolving phase-grains on the overall grain-growth kinetics of multiphase systems, both duplex and triplex, with varying phase-fractions. A dataset capable of rendering statistically significant, and accessible, information is built by modelling, and analysing, grain growth in twen…
