Search Results (21)

Aero-engine turbine vanes made from directionally solidified nickel-based superalloys often fail with crack formation from the external wall of cooling channels. Therefore, this study simulates the compressive load on the external wall of the vane and conducts a sequence of creep–fatigue evaluations at 980 °C to investigate the creep–fatigue damage mechanisms of a directionally solidified superalloy and to assess its life. It is found that at low strain ranges, creep damage is dominant, with creep cavities forming inside the specimen and fatigue sources mostly distributed in the specimen interior. As the strain range increases, the damage mechanism transitions from creep-dominated to creep–fatigue coupled damage, with cracks nucleating preferentially on the surface and exhibiting a characteristic of multiple fatigue sources. In the longitudinal (L) specimen, dislocations in multiple orientations of the {111}<110> slip system are activated simultaneously, interacting within the γ channels to form dislocation networks, and dislocations shear through the γ′ phase via antiphase boundary (APB) pairs. In the transverse (T) specimen, stacking intrinsic stacking faults (SISFs) accumulate within the limited {111}<112> slip systems, subsequently forming a dislocation slip band. The modified creep–fatigue life prediction model, incorporating strain energy dissipation and stress relaxation mechanisms, demonstrates an accurate fatigue life prediction under creep–fatigue coupling, with a prediction accuracy within an error band of 1.86 times. Full article

Directionally solidified (DS) superalloys have become a primary material choice for turbine blade applications. Due to the complex shape of the blades, certain regions inevitably experience stress axes oriented orthogonally to the crystal growth direction. Therefore, this study explores the creep characteristics of a DS superalloy in different orientations (transverse (T) versus longitudinal (L) with respect to grain growth direction) under intermediate and high temperatures (980 °C and 1070 °C), while simultaneously analyzing their respective deformation mechanisms and microstructural transformation behaviors. Experimental findings reveal pronounced orientation-dependent variations in creep performance, deformation modes, and microstructural development. Notably, the T specimen exhibits higher creep resistance at 980 °C, which can provide a basis for the design of some components that require high creep resistance and maintain small deformation. At 980 °C, L specimens primarily undergo γ′ phase shearing via antiphase boundaries (APBs) pairs, whereas T specimen exhibits APB pairs and superlattice intrinsic stacking faults (SISFs) shearing mechanisms. At 1070 °C, the L specimen exhibits dislocation shearing of γ′ alongside dislocation bypassing of tertiary γ′, while the T specimen demonstrates dislocation climbing within the γ channels. Additionally, the L specimen exhibits significant N-type rafting, while the T specimen shows significant Ostwald ripening characteristics, with an Ostwald ripening rate constant of 1.04 × 10⁻²⁰ m³/h. Full article

The creep properties of directionally solidified superalloys are largely influenced by the degradation rate of the γ/γ’ microstructure and the dislocation motion, which exhibit distinct mechanisms under varying temperature and stress conditions. In this study, the creep deformation mechanisms and microstructural evolution of a directionally solidified nickel-based superalloy in the longitudinal (L) and transverse (T) orientations at 850 °C are comprehensively investigated. Creep testing and characterization of the dislocation structure revealed superior creep properties in the L direction compared to the T direction. The creep mechanism in the L direction involves the activation of multiple {111}<110> slip systems, shearing the γ’ precipitates through antiphase boundaries (APBs). Conversely, the creep mechanism in the T direction involves the activation of {111}<112> slip systems, shearing the γ’ precipitates through a superlattice intrinsic stacking fault (SISF) and forming slip bands inclined to the stress axis. Aluminum was identified as the controlling element for the γ’ rafting. The longitudinal specimens exhibited P-type rafting due to the activation of multiple slip systems and sufficient plastic strain flow from the dislocation motion. In contrast, the transverse specimens show little rafting due to limited slip system activation. These findings can serve as a reference for better understanding the anisotropy of directionally solidified superalloys and provide a basis for their broader application. Full article

Materials utilized in extreme environments, such as those necessitating protection and impact resistance at cryogenic temperatures, must exhibit high strength, ductility, and structural stability. However, most alloys fail to maintain adequate toughness at cryogenic temperatures, thereby compromising their safety during cryogenic temperature service. This study investigates the quasi-static mechanical properties of a CoCr₀.₄NiSi₀.₃ medium-entropy alloy (MEA) at room temperature, −75 °C, and −150 °C. The deformation behavior and mechanisms responsible for strengthening and toughening at reduced cryogenic temperatures are analyzed, revealing that decreasing cryogenic temperature enhances the strength of the as-cast MEA. Specifically, both the yield strength (YS) and ultimate tensile strength (UTS) of the MEA increase significantly with decreasing temperature during cryogenic tensile testing. Under tensile testing at −150 °C, the YS reaches 617.5 MPa, the UTS is 1055.0 MPa, and the elongation to fracture remains approximately 21.0% at both −150 °C and −75 °C. After cryogenic temperature tensile deformation, the matrix exhibits a dispersed distribution of nanoscaled tetragonal and orthorhombic phases, a coherent hexagonal close-packed phase, L1₂ phase and layered long-period stacking ordered (LPSO) structures, which are rarely observed in the cryogenic deformation of metals and alloys. The metastable phase evolution path of this MEA at cryogenic temperatures is closely associated with the decomposition of perfect dislocations into a/6<112> Shockley partial dislocations and their subsequent evolution at reduced cryogenic temperatures. At −75 °C, the a/6<112> Shockley partial dislocation interacts with the L1₂ phase to form antiphase boundaries (APBs) approximately 3 nm thick. At −150 °C, two phase transition paths from stacking faults (SFs) to nanotwins and LPSO occur, leading to the formation of layered LPSO structures and deformation-induced nanotwins. The dispersion of these coherent nanophases and nanotwins induced by the reduced stacking fault energy under cryogenic temperatures is the key factor contributing to the excellent balance of strength and plasticity in the as-cast MEA, providing an important basis for research on the cryogenic mechanical properties of CoCrNi-based MEAs. Full article

The anomalous flow behavior of the γ′-Ni₃Al phase at high temperature is closely related to a cross-slip of $1/2⟨110⟩\left\{111\right\}$ super-partial dislocations. The acceleration of cross-slips induced by the addition of rhenium (Re) is known as Re-effects. In this work, by means of a series of lattice transitions, a hybrid model including a preexisting anti-phase boundary $\mathrm{APB}\left(111\right)$ was constructed to assess the difficulty of cross-slips of $1/2⟨110⟩\left\{111\right\}$ super-partial dislocations from $\left\{111\right\}$ planes to $\left\{001\right\}$ planes in the γ′-Ni₃Al phases, and the impact of the addition of Re on these dislocation mediated creep resistances was reinvestigated by first-principles calculations. The results showed that the addition of Re at preferential Al sublattice sites was indeed beneficial for the cross-slip of the first leading $1/2⟨110⟩\left\{111\right\}$ super-partial dislocations, and the existence of $\mathrm{APB}\left(111\right)$ could promote cross-slip of second leading $1/2⟨110⟩\left\{111\right\}$ super-partial dislocations. A detailed calculation of stacking fault energies demonstrated that an obvious Suzuki segregation of Re existed at $\mathrm{APB}\left(111\right)$ and $\mathrm{APB}\left(001\right)$, and Re preferentially occupied Ni sublattice sites. It is found Re-segregations at $\mathrm{APB}\left(111\right)$ were disadvantageous for the cross-slip of new $1/2⟨110⟩\left\{111\right\}$ super-partial dislocations, but the formation of more Kear-Wilsdorf dislocation locks could benefit from Re-segregations at $\mathrm{APB}\left(001\right)$. Full article

Scapolite forms solid solutions between the end members marialite, Na₄[Al₃Si₉O₂₄]Cl = Me₀, and meionite, Ca₄[Al₆Si₆O₂₄]CO₃ = Me₁₀₀. Al-Si order and chemical composition models are proposed for the scapolite solid solutions. These models predict the chemical composition, Al-Si order, and average <T–O> distances between Me₀–Me₁₀₀. These models are based on the observed order of clusters and on two solid solutions that meet at Me₇₅ coupled with predicted chemical compositions and <T–O> distances. The [Na₄·Cl]³⁺ and [NaCa₃·CO₃]⁵⁺ clusters are ordered between Me₀–Me₇₅, whereas the clusters [NaCa₃·CO₃]⁵⁺ and [Ca₄·CO₃]⁶⁺ are disordered from Me₇₅–Me₁₀₀. To confirm the structural model, the crystal structure of 27 scapolite samples between Me₆–Me₉₃ has been obtained using synchrotron high-resolution powder X-ray diffraction (HRPXRD) data and Rietveld structure refinements. The structure was refined in space group P4₂/n for all the samples. The <T–O> distances indicate that the T1 (=Si), T2 (=Al), and T3 (=Si) sites are completely ordered at Me_37.5, where the 1:1 ratio of [Na₄·Cl]³⁺:[NaCa₃·CO₃]⁵⁺ clusters are ordered and gives rise to antiphase domain boundaries (APBs) based on Cl-CO₃ order instead of Al-Si order. The presence of APBs based on Cl-CO₃ order and cluster order indicate that neither space group P4₂/n nor I4/m are correct for the structure of scapolite, but the lower symmetry space group P4₂/n is a good approximation for modeling the average structure of scapolite. The complete Al-Si order at Me_37.5 changes in a regular and predictable manner toward the end members: Me₀, Me₇₅, and Me₁₀₀. The observed unit cell and several structural parameters show a discontinuity at Me₇₅, where the series is divided into two. There is no structural evidence to support any phase transition in the scapolite series. The T1 site contains only Si from Me₀–Me_37.5; from Me_37.5–Me₁₀₀, Al atoms enter the T1 site and the <T1–O> distance increases linearly to Me₁₀₀. Full article

Changing film thickness to manipulate microstructural properties has been considered as a potential method in practical application. Here, we report that atomic-scale structural properties are regulated by film thickness in an NiC_O2O₄(NCO)/CuFe₂O₄(CFO) bilayer heterostructure prepared on (001)-MgAl₂O₄ (MAO) substrate by means of aberration-corrected scanning transmission electron microscopy (STEM). The misfit dislocations at the NCO/CFO interface and antiphase boundaries (APBs) bound to dislocations within the films are both found in NCO (40 nm)/CFO (40 nm)/MAO heterostructures, contributing to the relaxation of mismatch lattice strain. In addition, the non-overlapping a/4[101]-APB is found and the structural transformation of this kind of APB is resolved at the atomic scale. In contrast, only the interfacial dislocations form at the interface without the formation of APBs within the films in NCO (10 nm)/CFO (40 nm)/MAO heterostructures. Our results provide evidence that the formation of microstructural defects can be regulated by changing film thickness to tune the magnetic properties of epitaxial bilayer spinel oxide films. Full article

The effect of the melt cooling rate on the atomic ordering of austenite and, as a consequence, on the martensitic transformation of a nonstoichiometric alloy of the Ni-Mn-In system has been studied. In situ TEM observations revealed differences in the mechanism of phase transformations of the alloy subjected to different cooling conditions. It is shown that during quenching a high density of antiphase boundaries (APB) is formed and the alloy is in the austenite–martensitic (10M and 14M) state up to a temperature of 120 K. In a slowly cooled alloy, a lower APB density is observed, and a two-stage transformation, L21/B2 → 10M → 14M, occurs in the range of 150–120 K. Full article

Precipitation behaviors of Ni-Cr-Co-based superalloys with different Ti/Al ratios aged at 750, 800, and 850 °C for up to 10,000 h were investigated using scanning and transmission electron microscopy. The Ti/Al ratio did not significantly affect the diameter of the γ′ phase. However, the volume fraction of the γ′ phase increased with increasing Ti/Al ratios. The η phase was not observed in alloys with a small Ti/Al ratio, whereas it was precipitated after aging at 850 °C for 1000 h in alloys with a Ti/Al ratio greater than 0.80. Higher aging temperatures and higher Ti/Al ratios led to faster η formation kinetics and accelerated the degradation of alloys. It is thought that the increase in hardness with an increase in the Ti/Al ratio is attributed to the effective inhibition of the γ′ phase on dislocation movement due to the increase in the volume fraction of the γ′ phase and an increase in the antiphase boundary (APB) energy. Full article

The current study focuses on the modeling of two-phase $\gamma$-${\gamma }^{\prime }$ nickel-based superalloys, utilizing multi-scale approaches to simulate and predict the creep behaviors through crystal plasticity finite element (CPFE) platforms. The multi-scale framework links two distinct levels of the spatial spectrum, namely, sub-grain and homogenized scales, capturing the complexity of the system responses as a function of a tractable set of geometric and physical parameters. The model considers two dominant features of ${\gamma }^{\prime }$ morphology and composition. The ${\gamma }^{\prime }$ morphology is simulated using three parameters describing the average size, volume fraction, and shape. The sub-grain level is expressed by a size-dependent, dislocation density-based constitutive model in the CPFE framework with the explicit depiction of $\gamma$-${\gamma }^{\prime }$ morphology as the building block of the homogenized scale. The homogenized scale is developed as an activation energy-based crystal plasticity model reflecting intrinsic composition and morphology effects. The model incorporates the functional configuration of the constitutive parameters characterized over the sub-grain $\gamma$-${\gamma }^{\prime }$ microstructural morphology. The developed homogenized model significantly expedites the computational processes due to the nature of the parameterized representation of the dominant factors while retains reliable accuracy. Anti-Phase Boundary (APB) shearing and, glide-climb dislocation mechanisms are incorporated in the constitutive model which will become active based on the energies associated with the dislocations. The homogenized constitutive model addresses the thermo-mechanical behavior of nickel-based superalloys for an extensive temperature domain and encompasses orientation dependence as well as the loading condition of tension-compression asymmetry aspects. The model is validated for diverse compositions, temperatures, and orientations based on previously reported data of single crystalline nickel-based superalloy. Full article

Si-based group III-V material enables a multitude of applications and functionalities of the novel optoelectronic integration chips (OEICs) owing to their excellent optoelectronic properties and compatibility with the mature Si CMOS process technology. To achieve high performance OEICs, the crystal quality of the group III-V epitaxial layer plays an extremely vital role. However, there are several challenges for high quality group III-V material growth on Si, such as a large lattice mismatch, highly thermal expansion coefficient difference, and huge dissimilarity between group III-V material and Si, which inevitably leads to the formation of high threading dislocation densities (TDDs) and anti-phase boundaries (APBs). In view of the above-mentioned growth problems, this review details the defects formation and defects suppression methods to grow III-V materials on Si substrate (such as GaAs and InP), so as to give readers a full understanding on the group III-V hetero-epitaxial growth on Si substrates. Based on the previous literature investigation, two main concepts (global growth and selective epitaxial growth (SEG)) were proposed. Besides, we highlight the advanced technologies, such as the miscut substrate, multi-type buffer layer, strain superlattice (SLs), and epitaxial lateral overgrowth (ELO), to decrease the TDDs and APBs. To achieve high performance OEICs, the growth strategy and development trend for group III-V material on Si platform were also emphasized. Full article

In this study, we performed a quantum mechanical examination of thermodynamic, structural, elastic, and magnetic properties of single-phase ferromagnetic Fe${}_2$CoAl with a chemically disordered B2-type lattice with and without antiphase boundaries (APBs) with (001) crystallographic orientation. Fe${}_2$CoAl was modeled using two different 54-atom supercells with atoms on the two B2 sublattices distributed according to the special quasi-random structure (SQS) concept. Both computational models exhibited very similar formation energies (−0.243 and −0.244 eV/atom), B2 structure lattice parameters (2.849 and 2.850 Å), magnetic moments (1.266 and 1.274 ${\mu }_{\mathrm{B}}$/atom), practically identical single-crystal elastic constants ($C_{11}$ = 245 GPa, $C_{12}$ = 141 GPa, and similar $C_{44}$ = 132 GPa) and auxetic properties (the lowest Poisson ratio close to −0.1). The averaged APB interface energies were observed to be 199 and 310 mJ/m${}^2$ for the two models. The studied APBs increased the total magnetic moment by 6 and 8% due to a volumetric increase as well as local changes in the coordination of Fe atoms (their magnetic moments are reduced for increasing number of Al neighbors but increased by the presence of Co). The APBs also enhanced the auxetic properties. Full article

We performed a quantum mechanical study of segregation of Cu atoms toward antiphase boundaries (APBs) in Fe${}_3$Al. The computed concentration of Cu atoms was 3.125 at %. The APBs have been characterized by a shift of the lattice along the ⟨001⟩ crystallographic direction. The APB energy turns out to be lower for Cu atoms located directly at the APB interfaces and we found that it is equal to 84 mJ/m${}^2$. Both Cu atoms (as point defects) and APBs (as extended defects) have their specific impact on local magnetic moments of Fe atoms (mostly reduction of the magnitude). Their combined impact was found to be not just a simple sum of the effects of each of the defect types. The Cu atoms are predicted to segregate toward the studied APBs, but the related energy gain is very small and amounts to only 4 meV per Cu atom. We have also performed phonon calculations and found all studied states with different atomic configurations mechanically stable without any soft phonon modes. The band gap in phonon frequencies of Fe${}_3$Al is barely affected by Cu substituents but reduced by APBs. The phonon contributions to segregation-related energy changes are significant, ranging from a decrease by 16% at T = 0 K to an increase by 17% at T = 400 K (changes with respect to the segregation-related energy difference between static lattices). Importantly, we have also examined the differences in the phonon entropy and phonon energy induced by the Cu segregation and showed their strongly nonlinear trends. Full article

Through creep performance tests, microstructural observations, and contrast analysis of the dislocation configuration, the deformation and damage mechanism of the directionally solidified nickel-based superalloy during creep at moderate temperatures was investigated. The findings suggested that the deformation of the alloy in the late stage of creep at moderate temperatures involved dislocations slipping in the γ matrix and shearing into the γ′ phase. The super-dislocations sheared into the γ′ phase could either be decomposed to form a <112> super-Shockley incomplete dislocation plus superlattice intrinsic stacking fault (SISF) configuration, or it could slip from the {111} plane to the {100} plane and decompose to form a dislocation configuration of the Kear–Wilsdorf (K-W) lock plus antiphase domain boundary (APB). The configurations of the dislocations could inhibit the slipping and cross-slipping of dislocations to enhance the alloy creep strength, which is thought to be one reason that the alloy displayed good creep resistance. In the late creep stage, the primary/secondary slipping systems were alternately activated, and the interaction of the slipping traces caused micro-holes to appear on the interface of the γ/γ′ phases at the intersection areas of the two slipping systems. The micro-holes gathered and grew to form micro-cracks, which extended along the grain boundary at 45° to the stress axis until creep rupture occurred. These were the damage and fracture characteristics of the alloy in the late stage of creep at moderate temperatures. Full article

We performed a quantum-mechanical study of the effect of antiphase boundaries (APBs) on structural, magnetic and vibrational properties of Fe${}_3$Al compound. The studied APBs have the {001} crystallographic orientation of their sharp interfaces and they are characterized by a 1/2⟨111⟩ shift of atomic planes. There are two types of APB interfaces formed by either two adjacent planes of Fe atoms or by two adjacent planes containing both Fe and Al atoms. The averaged APB interface energy is found to be 80 mJ/m${}^2$ and we estimate the APB interface energy of each of the two types of interfaces to be within the range of 40–120 mJ/m${}^2$. The studied APBs affect local magnetic moments of Fe atoms near the defects, increasing magnetic moments of Fe${}^{\mathrm{II}}$ atoms by as much as 11.8% and reducing those of Fe${}^{\mathrm{I}}$ atoms by up to 4%. When comparing phonons in the Fe${}_3$Al with and without APBs within the harmonic approximation, we find a very strong influence of APBs. In particular, we have found a significant reduction of gap in frequencies that separates phonon modes below 7.9 THz and above 9.2 THz in the defect-free Fe${}_3$Al. All the APBs-induced changes result in a higher free energy, lower entropy and partly also a lower harmonic phonon energy in Fe${}_3$Al with APBs when compared with those in the defect-free bulk Fe${}_3$Al. Full article