Acta Materialia最新文献

A single-phase or simple-structured alloy does not always possess outstanding combinations of strength and ductility over a wide range of temperatures and strain rates for engineering applications. In the present work, a high-entropy alloy with multi-heterogeneous microstructures was in-situ fabricated via powder-plasma-arc additive manufacturing. The compressive behavior of the additive manufactured high-entropy alloy over a wide range of temperatures and strain rates was studied, using an improved split Hopkinson bar system and electronic universal testing machine. It shows exceptional combination of strength and ductility within the selected temperature and strain rate ranges. Microstructural evolution was characterized at various temperatures and strain rates, providing insight into the intricate relationship between microstructure and property. The multicomponent Laves phase is hard yet deformable, while the multicomponent FCC phase is soft and ductile. The deformation twins observed all over the selected temperature and strain rate ranges and dynamic recrystallization appearing at high temperatures in the FCC phase enhance the ductility of the FCC phase and rise the crack-arresting capability. The third-type strain aging occurs at different strain rates, which shifts to a higher temperature range as strain rate increases. Ta and impurity atom, Si, acting as “solute atoms” form atom atmosphere and silicide, pinning the moving dislocations in the FCC phase. Finally, a deformation mechanism map was proposed over a wide temperature and strain rate range. The study explored a potentially new avenue to design alloys with exceptional combinations of strength and ductility over a wide range of temperatures and strain rates.

The influence of chemical composition changes on the room temperature mechanical properties in the binary Ca₃₃Al₆₇ C15 CaAl₂ Laves phase were investigated in two ternary alloys with off-stoichiometric compositions with 5.7 at.% Mg substitution (Ca₃₃Al₆₁Mg₆) and 10.8 at.% Mg and 3.0 at.% Ca substitution (Ca₃₆Al₅₃Mg₁₁) and compared to the stoichiometric (Ca₃₃Al₆₇) composition. Cubic Ca-Al-Mg Laves phases with multiple crystallographic orientations were characterised and deformed using nanoindentation. The hardness and indentation modulus were measured to be 4.1 ± 0.3 GPa and 71.3 ± 1.5 GPa for Ca₃₆Al₅₃Mg₁₁, 4.6 ± 0.2 GPa and 80.4 ± 3.8 GPa for Ca₃₃Al₆₁Mg₆ and 4.9 ± 0.3 GPa and 85.5 ± 4.0 GPa for Ca₃₃Al₆₇, taken from our previous study, respectively. The resulting surface traces as well as slip and crack planes, were distinguished on the indentation surfaces, revealing the activation of several different {11n} slip systems, as further confirmed by conventional transmission electron microscopic observations. Additionally, the deformation mechanisms and corresponding energy barriers of activated slip systems were evaluated by atomistic simulations.

Zirconium alloys are susceptible to hydrogen embrittlement and hydride precipitation. The precipitation of hydrides is accompanied by a transformation strain, but the contribution of this strain to the fracture of hydrides is not well-understood. In this study, deformation mechanisms and the micromechanics of fracture of hydrides are investigated by conducting in-situ and interrupted ex-situ tensile experiments on hydrided zirconium specimens. Electron backscatter diffraction (EBSD) is used to measure the macro-EBSD maps that contain the grains located in the gauge section of the specimens’ surfaces. Further, high spatial resolution EBSD is used to determine orientation variations induced by the precipitation of hydrides and by the external mechanical load. The measured grain orientations are mapped into a crystal plasticity finite element (CPFE) model to examine the performance of eight different crack initiation criteria. It is shown that a multiscale approach is essential for studying the fracture of hydrides as the details of hydride morphology, orientation, local grain neighborhood, and hydride-hydride interactions are important in such analysis. It is shown that neglecting the effects of hydride-induced transformation strain leads to inaccuracies in predicting both the location and direction of microcracks within hydrides. Among the examined methods, the combination of resolved shear stress and resolved shear strain on slip systems, i.e., the highest shear energy density, consistently predicts the correct locations of hydride microcracks as well as their propagation direction. Further, it is shown that the significant deformation that takes place within hydrides is the main driving force for the fracture of hydrides.

GeTe is emerging as promising medium-temperature thermoelectric material due to its highly competitive performance and good mechanical properties. Strong Rashba spin splitting was harnessed to markedly improve the Seebeck coefficient and power factor of Bi and Sn codoped GeTe at low-medium temperature. Moreover, it is found that Bi-Sn-Cu doping reduces the phase-transition temperature to extend better electrical transport behavior of cubic phase to low temperature. As a result, the electrical transport properties in low-medium temperature were overall enhanced. In the meanwhile, endotaxial hetero-nanostructures efficiently scatter phonons and play a dominant role on affecting phonon propagation. The lattice thermal conductivity was reduced to 0.2 W m⁻¹ K⁻¹ at 673 K. Drive by strengthening Rashba effect and endotaxial hetero-nanostructures, a record-high average ZT (300–823 K) of 1.6 and a high ZT of 2.1 were obtained in lead-free GeTe-based compounds. The vast increase of ZT promotes GeTe as a promising candidate for a wide range of applications in waste heat recovery and power generation.

Nanostructured magnetic materials have gained great interest due to their possible technological applications in electronic and spintronic devices or in medicine as drug carriers. The key issue which decides on their potential industrial utilization is an exhibited type of a magnetization reversal process. Two main approaches used to describe the switching mechanism are the domain wall motion and coherent magnetization rotation, known as the Kondorsky and Stoner–Wohlfarth models, respectively. The reversal modes can be distinguished by angular measurements of hysteresis loops; however, in many experimental reports the dependencies do not precisely follow either of the models. This makes the question of how the magnetization reversal takes place and how to control or modify it one of the unclear and worth investigation issues in the research on magnetic materials. In this paper, we present our studies on the magnetization reversal in the exchange-biased CoO/[Co/Pd] thin films deposited on a flat substrate and on an array of anodized titanium oxide nanostructures. We studied the reversal mechanism using hysteresis loops and First-Order Reversal Curves. Interestingly, instead of the typical for the flat Co/Pd multilayers Kondorsky process, the system shows a crossover between the domain wall motion and the coherent rotation. A similar situation takes place for the pattern sample. Here, we connect this unusual behavior with the interface exchange interaction responsible for the exchange bias effect.

Both atomistic and mesoscale simulation techniques have been extensively employed to gain fundamental understanding of the structures, deformation mechanisms, and structure-property relationships in bulk metallic glasses (BMGs), each with its unique strengths and limitations. Nevertheless, there is a limited degree of synergistic integration between the two approaches. In this study, we extract key properties of shear transformation zones (STZs) directly from the atomistic simulations, including their size, number of shear modes, eigenstrain, and most importantly, the activation energy barrier spectrum as a function of cooling history and strain rate. We then incorporate these STZ properties into a heterogeneously randomized STZ dynamic model implemented in a kinetic Monte Carlo algorithm to study parametrically the deformation microstructure, shear band formation and stress-strain behavior of BMGs. Two important characteristics of STZ activation that dictate the strength and ductility of a glass are identified. One is the average of the activation energy barrier spectrum (approximated by a Gaussian distribution), determined by the glass composition and processing history such as the cooling rate. The other is the amount of shift of the Gaussian distribution towards smaller activation energy barrier values during deformation, which is determined by the initial structural states and strain rate during deformation, and exhibits a saturation value. These findings have allowed us to gain important fundamental insights into the correlation between the degree of shear-induced softening and the general deformation behavior of BMGs, leading to a better understanding of the correlation between the processing history/loading condition and the mechanical behavior.

The development of transition-metal-alloyed (Ti,Al)N thin films has become a common strategy to achieve optimized mechanical and thermal properties. Selection of a suitable alloying element, however, should consider the effect on Al solubility, directly influencing phase stability during the deposition. Here we use high-throughput ab initio formation enthalpy calculations to assess stability of the cubic (c) vs. hexagonal wurtzite-type (w-) phase of TM-alloyed (Ti,Al,TM)N. This compositionally-limited ab initio dataset serves to fit several machine-learning (ML) models enabling phase stability predictions over the entire compositional range. Of all the models, the linear regression using Magpie feature descriptor pre-processed by a genetic algorithm has the highest accuracy. For Ta, Nb, Mo, and W addition below ∼10 at.%, our ML model predicts enhanced stability of c-(Ti,Al,TM)N due to increased solubility of Al. Other alloying elements, especially Sc and Y from IIIB group and Hf and Zr from IVB group, decrease the cubic metastable solubility limit. In agreement with available experimental data, all transition metals except for Cr and V increase the volume of c-(Ti,Al,TM)N and w-(Ti,Al,TM)N.

The seeded crystal growth of LiNbO${}_3$ in glass under the isothermal conditions has been studied using a machine-learned clustering algorithm trained on a combination of static and dynamic structural features. Our findings contradict the sharp crystal-glass interface assumption of classical nucleation theory (CNT). The growth of the seed occurs via the attachment of a group of atoms rather than single atoms. The predictions from the machine-learned simulations helped us compare the growth rate of seeds across various initial seed-sizes and temperature. Simulations with multiple seeds show that the growth rate of a seed is enhanced by the presence of another seed in its vicinity.

Hierarchical microstructures spanning from micro-sized eutectic structure to nano-sized precipitates are promisingly engineered in lightweight Al alloys to improve the high-temperature creep resistance that is increasingly required for rapid industrial development. However, the intrinsically-brittle eutectic phase is ready to fracture upon applied loading, which, dramatically reducing room-temperature ductility and fracture toughness, greatly hampers practical applications of the creep-resistant Al alloys. Here, through the combination of Sc microalloying with sub-rapid solidification, we observe the ductilization of Al₁₁Ce₃ eutectic phase in cast heat-resistant Al-Ce-Sc alloys due to the formation of atomic-scale compositional complexity. High-concentration Sc atoms are frozen within the Al₁₁Ce₃ intermetallic phase by the sub-rapid solidification, which then assemble into unusual atomic-scale compositional dipoles with the Sc atoms enriched at one pole and the Al atoms at the opposite during subsequent heat treatment. The dispersed Sc-Al compositional dipoles induce local lattice distortions that stimulate dislocation activities, as temporally and spatially visualized by in-situ neutron diffraction tensile test and microstructural characterizations. The unexpected plastic deformation triggered in Al₁₁Ce₃ improves the deformation compatibility between the eutectic phases, enabling the sub-rapidly-solidified Al-Ce-Sc alloy to reach a room-temperature tensile elongation 3 times and fracture toughness over 8 times of its counterpart derived from traditional solidification. In addition, the sub-rapidly-solidified Al-Ce-Sc alloy exhibits an excellent creep resistance at 300 °C, achieving a tensile creep stress threshold of ∼ 70 MPa. These findings provide new perspectives on the design of ductile intermetallic phases and the development of creep-resistant Al alloys with application-level ductility.