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-Nb alloy performs better in terms of creep strain rate. Considering the similar initial microstructures, the difference in mechanical behavior is attributed to a phase transformation that occurs along planar faults, controlled by the different types of stacking faults and alloy composition. Electron channeling contrast imaging reveals the presence of stacking faults in both alloys. Microtwinning is observed only in the low-Nb alloy, rationalizing in part the higher creep strain rate. In the high-Nb alloy, atom probe tomography evidences two different types of stacking faults based on their partitioning behavior. Superlattice intrinsic stacking faults (SISF) were found enriched in Nb, Co, Cr and Mo while only Nb and Co was segregated at superlattice extrinsic stacking faults. Based on their composition, a local phase transformation occurring along the faults is suggested, resulting in slower creep strain rate in the high-Nb alloy. In comparison, mainly SISF enriched in Co, Cr, Nb and Mo were found in the low-Nb alloy. Following the results presented here, and those available in the literature, an atomic-scale driven alloy design approach that controls and promotes local phase transformation along planar faults at 750C is proposed, aiming to design superalloys with enhanced creep resistance.
We propose an element-agnostic set of descriptors to model superalloy properties with Gaussian process regression. Furthermore, we develop a correction method to deliver the best and most physical predictions for microchemistry in multi-phase alloys. The models' performance in predictions is confirmed for superalloy microchemistry, microstructure, and strength properties. When including new, unseen elements in the test data, the models still give good predictions; such extrapolations into new chemical-space would be impossible with component-based descriptors.
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 …
We have investigated the coarsening mechanism of intergranular Cr-rich M2B borides after creep and annealing at 850C for approximately 3000 hours in a polycrystalline nickel-based superalloy. Borides were found to be coarser after creep, with measured thicknesses in the range of 800-1100nm, compared to borides annealed in the absence of external applied load (400-600nm). The borides had a thickness of 100-200nm before exposure at 850C. Transmission electron microscopy revealed that coarsened borides have either the tetragonal I4/mcm structure, or the orthorhombic Fddd, with those two structure…
Titanium is commonly added to nickel superalloys but has a well-documented detrimental effect on oxidation resistance. The present work constitutes the first atomistic-scale quantitative measurements of grain boundary and bulk compositions in the oxide scale of a current generation polycrystalline nickel superalloy performed through atom probe tomography. Titanium was found to be particularly detrimental to oxide scale growth through grain boundary diffusion.
Recently Liu et al. (Acta Mater., 2020) proposed a new divide-and-conquer based machine learning method for predicting creep life of superalloys. The idea is enlightening though, the prediction accuracy and intelligence remain to be improved. In the present work, we modify the method by adding a dimensionality reduction algorithm before the clustering step and introducing a grid search algorithm to the regression model selection step. As a consequence, the clustering result becomes much more desirable and the accuracy of predicted creep life is dramatically improved. The root-mean-square error…
The tensile creep performance of a polycrystalline Co/Ni-base superalloy with a multimodal gamma prime distribution has been examined at 800C and 300MPa. The rupture life of the alloy is comparable to that of RR1000 tested under similar conditions. Microstructural examination of the alloy after testing revealed the presence of continuous gamma prime precipitates and M23C6 carbides along the grain boundaries. Intragranularly, coarsening of the secondary gamma prime precipitates occurred at the expense of the fine tertiary gamma prime. Long planar deformation bands, free of gamma prime, were als…
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…
We investigate the hot cracking susceptibility and creep resistance of three versions of a nickel-based superalloy with different contents of boron, carbon and zirconium fabricated by laser powder bed fusion. Crack-free and creep resistant components are achieved for alloys with boron, carbon and no zirconium. We then rationalize this result by evaluating how boron, carbon and zirconium are distributed at grain boundaries in the as-built and heat-treated microstructures of an alloy containing all these elements. Observations are conducted by scanning and transmission electron microscopy, and a…
Nickel-based superalloys play a major role in many technologically relevant high temperature applications. Understanding and predicting the evolution of the phase microstructure during high temperature creep together with the evolution of the dislocation microstructure is a challenge that up to date has not yet been fully accomplished. Our two-dimensional coupled phase-field/continuum dislocation dynamics model explains microstructural mechanisms which are important during the early stage of rafting in a single crystal system. It shows how $γ/γ'$ phases and dislocations interact giving rise to…
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 microstructural and compositional evolution of intergranular carbides and borides prior to and after creep deformation at 850 $^\circ$C in a polycrystalline nickel-based superalloy was studied. Primary MC carbides, enveloped within intergranular $\rm γ'$ layers, decomposed resulting in the formation of layers of the undesirable $\rm η$ phase. These layers have a composition corresponding to Ni$_{3}$Ta as measured by atom probe tomography and their structure is consistent with the D0$_{24}$ hexagonal structure as revealed by transmission electron microscopy. Electron backscattered diffracti…
Creep in single crystal Nickel-based superalloys has been a topic of interest since decades, and nowadays simulations are more and more able to complement experiments. In these alloys, the $γ/γ'$ phase microstructure co-evolves with the system of dislocations under load, and understanding the mutual interactions is essential for understanding the resulting creep properties. Predictive modeling thus requires multiphysics frameworks capable of modeling and simulating both the phase and defect microstructures. To do so, we formulate a coupled model of phase-field evolution and continuum dislocati…
The service lives of nickel superalloys are often limited by environmental degradation. The present study compares oxidation, sulfidation and hot corrosion at 750C of three variants of a polycrystalline superalloy: a baseline alloy, a variant containing 1wt% Mn and one containing 0.5wt% Si. Mn reduced the oxidation rate without changing the scale morphology. The MnCr2O4 scale formed proved more protective against sulfidation and hot corrosion, but internal sulfides extended the damage depth. Si modified the oxide morphology to a continuous Cr2O3-Al2O3 dual layer. This provided improved protect…
High-Ti induced planar-fault transformation toward superlattice extrinsic stacking faults and microtwins in crept CoNi-based superalloys
Helmholtz-Zentrum Hereon（赫尔姆霍茨-海雷恩中心）；Tsinghua University（清华大学）；University of Stuttgart（斯图加特大学）；University of Twente（特文特大学）；Southeast University（东南大学）；Central South university（中南大学）
Cobalt-based alloys with γ/γ' microstructures have the potential to become the next generation of superalloys, but alloy compositions and processing steps must be optimized to improve coarsening, creep, and rafting behavior. While these behaviors are different than in nickel-based superalloys, alloy development can be accelerated by understanding the thermodynamic factors influencing microstructure evolution. In this work, we develop a phase field model informed by first-principles density functional theory and experimental data to predict the equilibrium shapes of Co-Al-W γ' precipitates. Thr…
The present work discusses the micro-mechanism of low cycle fatigue (LCF) crack growth in smooth bar specimens of Haynes 282. Two parametric approaches, i.e. crack tip opening angle (CTOA) and maximum tangential stress (θMTS) have been opted to characterize the cracks. CTOA variations along with a propagating crack, exhibit a non-linear decay followed by a stabilized regime. Mixicity of local KI and KII fields is directly proportional to θMTS and that can be assessed by measuring local deflections. Around the crack, the role of grain incompatibility has been addressed through EBSD and slip tra…
We report evidence of Re and Mo segregation (up to 2.6 at.% and 1 at.%) along with Cr and Co to the dislocations inside of γ' precipitates in a second generation Ni-based single crystal superalloy, after creep deformation at 750°C under an applied stress of 800 MPa. The observed segregation effects can be rationalized through bridging the solute partitioning behavior across the γ/γ' interface and the pipe diffusion mechanism along the core of the dislocation line. This understanding can provide new insights enabling improved alloy design.
A continuum theory based on thermodynamics has been developed for modeling diffusional creep of polycrystalline solids. It consists of a coupled problem of vacancy diffusion and mechanics where the vacancy generation/absorption at grain boundaries is driven by grain boundary dislocations climb. The model is stated in terms of general balance laws and completed by the choice of constitutive equations consistent with classical non-equilibrium thermodynamics. The kinetics of diffusional creep is derived from physically-based mechanisms of climb of dislocations at grain boundaries, thus introducin…
Understanding the creep mechanisms and deformation response at different stresses and temperatures is crucial for design using nickel-base superalloys for high-temperature applications. In this study, the creep behaviour of a newly designed superalloy (nominated Alloy 11) at different stress and temperature was systematically investigated using SEM, STEM, EBSD and synchrotron X-ray diffraction. Material properties and mechanical response were analysed by considering such properties as lattice parameters and misfit, phase volume fraction, microstrain in reference and crept samples. Detwinning a…
A micromechanical model at the microscale within a crystal plasticity self-consistent model, is used to analyse loading histories in Type 316H stainless steel, common to structural components in high-temperature power plants. The study compares the SCM predictions on changes in mechanical behaviour and creep properties to analyses via the UK R5 structural assessment code. Plant-relevant cyclic-creep histories in Type 316H stainless steel at 550C are examined with focus on the estimation of accumulated creep strain. This aims to quantify how better understanding of creep deformation under cycli…
The susceptibility of nickel-based superalloys to processing-induced crack formation during laser powder-bed additive manufacturing is studied. Twelve different alloys -- some of existing (heritage) type but also other newly-designed ones -- are considered. A strong inter-dependence of alloy composition and processability is demonstrated. Stereological procedures are developed to enable the two dominant defect types found -- solidification cracks and solid-state ductility dip cracks -- to be distinguished and quantified. Differential scanning calorimetry, creep stress relaxation tests at 1000$…
Interfaces have long been known to be the key to many mechanical and electric properties. To nickel base superalloys which have perfect creep and fatigue properties and have been widely used as materials of turbine blades, interfaces determine the strengthening capacities in high temperature. By means of high resolution scanning transmission electron microscopy (HRSTEM) and 3D atom probe (3DAP) tomography, Srinivasan et al. proposed a new point that in nickel base superalloys there exist two different interfacial widths across the γ/γ' interface, one corresponding to an order-disorder transiti…
Past models of stress-strain response under cyclic loading mainly rely on macroscopic equations which consider microstructure evolution indirectly or simply discard microstructure information. Modern materials science, on the other hand, seeks quantitive descriptions for the relations between microstrucutre and loading response. In the present work, we show a promising mesoscale phase-field framework which can describe co-evolution of phase/grain and defect microstructures, reveal microstructure mechanisms and simultaneously predict deformation properties as a natural outcome of microstrucutur…
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…
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 …
There are a multitude of applications in which structural materials would be desired to be nondestructively evaluated, while in a component, for plasticity and failure characteristics. In this way, safety and resilience features can be significantly improved. Nevertheless, while failure can be visible through cracks, plasticity is commonly invisible and highly microstructure-dependent. Here, we show that an equation-free method based on principal component analysis is capable of detecting yielding and tertiary creep onset, directly from strain fields that are obtained by digital image correlat…
A new computational tool has been developed to model, discover, and optimize new alloys that simultaneously satisfy up to eleven physical criteria. An artificial neural network is trained from pre-existing materials data that enables the prediction of individual material properties both as a function of composition and heat treatment routine, which allows it to optimize the material properties to search for the material with properties most likely to exceed a target criteria. We design a new polycrystalline nickel-base superalloy with the optimal combination of cost, density, gamma' phase cont…
Imaging individual vacancies in solids and revealing their interactions with solute atoms remains one of the frontiers in microscopy and microanalysis. Here we study a creep-deformed binary Ni-2 at.% Ta alloy. Atom probe tomography reveals a random distribution of Ta. Field ion microscopy, with contrast interpretation supported by density-functional theory and time-of-flight mass spectrometry, evidences a positive correlation of tantalum with vacancies. Our results support solute-vacancy binding, which explains improvement in creep resistance of Ta-containing Ni-based superalloys and helps gui…
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…
A new class of crack-resistant nickel-based superalloy containing high $γ^\prime$ fraction is studied for the laser-powder bed fusion (L-PBF) process. The effects of the (Nb+Ta)/Al ratio is emphasised, a strategy that is shown to confer excellent low-temperature strength whilst maintaining oxidation resistance at high temperatures via stable alumina scale formation. The processability of the new alloys is characterised with respect to defect assessment by micro-focus x-ray computed tomography; use is made of a prototype turbine blade geometry and the heritage alloy CM247LC as a benchmark. In a…
Digital image correlation of laser-ablated platinum nanoparticles on the surface of a polycrystalline metal (nickel-based superalloy Rene 88DT) was used to obtain the local strain behavior from an in situ scanning electron microscope tensile experiment at room temperature. By fusing this information with crystallographic orientations from EBSD, a subsequent analysis shows that the average maximum shear strain tends to increase with increasing Schmid factor. Additionally, the range of the extreme values for the maximum shear strain also increases closer to the grain boundary, signifying that gr…
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…
Shape Memory Alloys (SMAs) has been widely aware of working as actuators for active/smart morphing structures in the engineering industry. Because of the high actuation energy density of SMAs, compared to other active materials, structures integrated with SMA-based actuators has high advantage in terms of trade-offs between overall structure weight, integrity and functionality. The majority of available constitutive models for SMAs are developed within the infinitesimal strain regime. However, it was reported that particular SMAs can generate transformation strains nearly up to 8%-10%, for whi…
Mechanical properties of zirconia polycrystals decrease drastically at high temperature due to thermally activated grain boundary (GB) sliding, leading to plastic or even super-plastic deformation. As GB sliding is a source of energy dissipation in the material, mechanical loss measurements are well suited to study such a mechanism. They reveal, in general, a mechanical loss peak, which evolves into an exponential increase at higher temperature. When intergranular glassy films or/and amorphous pockets are presented in polycrystalline ceramics, the mechanical loss is globally higher and so is t…
Predicting the structural response of advanced multiphase alloys and understanding the underlying microscopic mechanisms that are responsible for it are two critically important roles modeling plays in alloy development. An alloys demonstration of superior properties, such as high strength, creep resistance, high ductility, and fracture toughness, is not sufficient to secure its use in widespread application. Still, a good model is needed, to take measurable alloy properties, such as microstructure and chemical composition, and forecast how the alloy will perform in specified mechanical deform…
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…
The Ni-based superalloy Alloy 718 is used in aircraft engines as high-pressure turbine discs and must endure challenging demands on high-temperature yield strength, creep-, and oxidation-resistance. Nanoscale $γ^{\prime}$- and $γ^{\prime \prime}$-precipitates commonly found in duplet and triplet co-precipitate morphologies provide high-temperature strength under these harsh operating conditions. Direct ageing of Alloy 718 is an attractive alternative manufacturing route known to increase the yield strength at 650 $^°$C by at least +10 $\%$, by both retaining high dislocation densities and chan…
Direct current thermo-mechanical testing: Principles, uncertainty hierarchy, and its role in advanced materials characterisation
National Physical Laboratory（英国国家物理实验室）；Purdue University（普渡大学）；Iowa State University（爱荷华州立大学）；Federal University of Technology（联邦科技大学）；University of Birmingham（伯明翰大学）
