Strong-Yet-Ductile Eutectic Alloys Employing Cocoon-Like Nanometer-Sized Dislocation Cells.

Eutectic alloys (EAs) with superior fluidity are known to be the easiest to cast into high-quality ingots, making them the alloys of choice for making large-sized structural parts. However, conventional EAs (CEAs) have never reached strength-ductility combinations on par with the best in other alloy categories. Via thermomechanical processing of cast Ni-32.88wt%Fe-9.53wt%Al CEAs, a cocoon-like nano-meshed (as fine as 26 nm) network of dislocations (CNN-D) is produced via recovery annealing, through the rearrangement of cold-work-accumulated dislocations anchored by dense pre-existing nanoprecipitates. In lieu of traditional plasticity mechanisms, such as TWIP and TRIP, the CNN-D is particularly effective in eutectic lamellae with alternating phases, as it instigates nanometer-spaced planar slip bands that not only dynamically refine the microstructure but also transmit from the FCC (face-centered-cubic) layers into the otherwise brittle B2 layers. These additional mechanisms for strengthening and strain hardening sustain stable tensile flow, resulting in a striking elevation of both strength and ductility to outrank not only all previous CEAs, but also the state of the art-additively manufactured eutectic high-entropy alloys. The CNN-D thus adds a novel microstructural strategy for performance enhancement, especially for compositionally complex alloys that increasingly make use of nanoprecipitates or local chemical order.

Minimizing the diffusivity difference between vacancies and interstitials in multi-principal element alloys.

Interstitial atoms usually diffuse much faster than vacancies, which is often the root cause for the ineffective recombination of point defects in metals under irradiation. Here, via ab initio modeling of single-defect diffusion behavior in the equiatomic NiCoCrFe(Pd) alloy, we demonstrate an alloy design strategy that can reduce the diffusivity difference between the two types of point defects. The two diffusivities become almost equal after substituting the NiCoCrFe base alloy with Pd. The underlying mechanism is that Pd, with a much larger atomic size (hence larger compressibility) than the rest of the constituents, not only heightens the activation energy barrier (Ea) for interstitial motion by narrowing the diffusion channels but simultaneously also reduces Ea for vacancies due to less energy penalty required for bond length change between the initial and the saddle states. Our findings have a broad implication that the dynamics of point defects can be manipulated by taking advantage of the atomic size disparity, to facilitate point-defect annihilation that suppresses void formation and swelling, thereby improving radiation tolerance.

Effect of local chemical order on the irradiation-induced defect evolution in CrCoNi medium-entropy alloy.

High- (and medium-) entropy alloys have emerged as potentially suitable structural materials for nuclear applications, particularly as they appear to show promising irradiation resistance. Recent studies have provided evidence of the presence of local chemical order (LCO) as a salient feature of these complex concentrated solid-solution alloys. However, the influence of such LCO on their irradiation response has remained uncertain thus far. In this work, we combine ion irradiation experiments with large-scale atomistic simulations to reveal that the presence of chemical short-range order, developed as an early stage of LCO, slows down the formation and evolution of point defects in the equiatomic medium-entropy alloy CrCoNi during irradiation. In particular, the irradiation-induced vacancies and interstitials exhibit a smaller difference in their mobility, arising from a stronger effect of LCO in localizing interstitial diffusion. This effect promotes their recombination as the LCO serves to tune the migration energy barriers of these point defects, thereby delaying the initiation of damage. These findings imply that local chemical ordering may provide a variable in the design space to enhance the resistance of multi-principal element alloys to irradiation damage.

Shear transformations in metallic glasses without excessive and predefinable defects.

Plastic flow in metallic glasses (MGs) is known to be mediated by shear transformations (STs), which have been hypothesized to preferentially initiate from identifiable local "defect" regions with loose atomic packing. Here we show that the above idea is incorrect, i.e., STs do not arise from signature structural defects that can be recognized a priori. This conclusion is reached via a realistic MG model obtained by combining molecular dynamics (MD) and Monte Carlo simulations, achieving liquid solidification at an effective cooling rate as slow as 500 K/s to approach that typical in experiments for producing bulk MGs. At shear stresses before global yielding, only about 2% of the total atoms participate in STs, each event involving typically ~10 atoms. These observations rectify the excessive content of "liquid-like regions" retained from unrealistically fast quench in MD-produced glass models. Our findings also shed light on the indeterministic aspect of the ST sites/zones, which emerge with varying spatial locations and distribution depending on specific mechanical loading conditions.

Spinodal-modulated solid solution delivers a strong and ductile refractory high-entropy alloy.

Body-centered-cubic (BCC) refractory high-entropy alloys (RHEAs) are being actively pursued due to their potential to outperform existing superalloys at elevated temperatures. One bottleneck problem, however, is that these RHEAs lack tensile ductility and, hence, processability at room temperature. The strategy previously invoked to sustain ductility in high-strength HEAs is to manage dislocation movements via incorporating dispersed obstacles; this, however, may also have embrittlement ramifications. Here, a new strategy is demonstrated to achieve ductile BCC HfNbTiV, via decomposing the BCC arrangement (ß phase) into a ß(BCC1) + ß*(BCC2) arrangement via spinodal decomposition, producing chemical composition modulations and, more importantly, elastic strain on a length scale of a few tens of nanometers. The periodically spaced ß*, with large lattice distortion, is particularly potent in heightening the ruggedness of the terrain for the passage of dislocations. This makes the motion of dislocations sluggish, causing a traffic jam and cross-slip, facilitating dislocation interactions, multiplication, and accumulation. Wavy dislocations form walls that entangle with slip bands, promoting strain hardening and delocalizing plastic strain. A simultaneous combination of high yield strength (1.1 GPa) and tensile strain to failure (28%) is achieved; these values are among the best reported so far for refractory high-entropy alloys.

Predicting orientation-dependent plastic susceptibility from static structure in amorphous solids via deep learning.

It has been a long-standing materials science challenge to establish structure-property relations in amorphous solids. Here we introduce a rotationally non-invariant local structure representation that enables different predictions for different loading orientations, which is found essential for high-fidelity prediction of the propensity for stress-driven shear transformations. This novel structure representation, when combined with convolutional neural network (CNN), a powerful deep learning algorithm, leads to unprecedented accuracy for identifying atoms with high propensity for shear transformations (i.e., plastic susceptibility), solely from the static structure in both two- and three-dimensional model glasses. The data-driven models trained on samples at one composition and a given processing history are found transferrable to glass samples with different processing histories or at different compositions in the same alloy system. Our analysis of the new structure representation also provides valuable insight into key atomic packing features that influence the local mechanical response and its anisotropy in glasses.

Unusual activated processes controlling dislocation motion in body-centered-cubic high-entropy alloys.

Atomistic simulations of dislocation mobility reveal that body-centered cubic (BCC) high-entropy alloys (HEAs) are distinctly different from traditional BCC metals. HEAs are concentrated solutions in which composition fluctuation is almost inevitable. The resultant inhomogeneities, while locally promoting kink nucleation on screw dislocations, trap them against propagation with an appreciable energy barrier, replacing kink nucleation as the rate-limiting mechanism. Edge dislocations encounter a similar activated process of nanoscale segment detrapping, with comparable activation barrier. As a result, the mobility of edge dislocations, and hence their contribution to strength, becomes comparable to screw dislocations.

Rafting-Enabled Recovery Avoids Recrystallization in 3D-Printing-Repaired Single-Crystal Superalloys.

The repair of damaged Ni-based superalloy single-crystal turbine blades has been a long-standing challenge. Additive manufacturing by an electron beam is promising to this end, but there is a formidable obstacle: either the residual stress and γ/γ  ' microstructure in the single-crystalline fusion zone after e-beam melting are unacceptable (e.g., prone to cracking), or, after solutionizing heat treatment, recrystallization occurs, bringing forth new grains that degrade the high-temperature creep properties. Here, a post-3D printing recovery protocol is designed that eliminates the driving force for recrystallization, namely, the stored energy associated with the high retained dislocation density, prior to standard solution treatment and aging. The post-electron-beam-melting, pre-solutionizing recovery via sub-solvus annealing is rendered possible by the rafting (i.e., directional coarsening) of γ  ' particles that facilitates dislocation rearrangement and annihilation. The rafted microstructure is removed in subsequent solution treatment, leaving behind a damage-free and residual-stress-free single crystal with uniform γ  ' precipitates indistinguishable from the rest of the turbine blade. This discovery offers a practical means to keep 3D-printed single crystals from cracking due to unrelieved residual stress, or stress-relieved but recrystallizing into a polycrystalline microstructure, paving the way for additive manufacturing to repair, restore, and reshape any superalloy single-crystal product.

Tailoring heterogeneities in high-entropy alloys to promote strength-ductility synergy.

Conventional alloys are usually based on a single host metal. Recent high-entropy alloys (HEAs), in contrast, employ multiple principal elements. The strength of HEAs is considerably higher than traditional solid solutions, as the many constituents lead to a rugged energy landscape that increases the resistance to dislocation motion, which can also be retarded by other heterogeneities. The wide variety of nanostructured heterogeneities in HEAs, including those generated on the fly during tensile straining, also offer elevated strain-hardening capability that promotes uniform tensile ductility. Citing recent examples, this review explores the multiple levels of heterogeneities in multi-principal-element alloys that contribute to lattice friction and back stress hardening, as a general strategy towards strength-ductility synergy beyond current benchmark ranges.

Controlled growth of single-crystalline metal nanowires via thermomigration across a nanoscale junction.

Mass transport driven by temperature gradient is commonly seen in fluids. However, here we demonstrate that when drawing a cold nano-tip off a hot solid substrate, thermomigration can be so rampant that it can be exploited for producing single-crystalline aluminum, copper, silver and tin nanowires. This demonstrates that in nanoscale objects, solids can mimic liquids in rapid morphological changes, by virtue of fast surface diffusion across short distances. During uniform growth, a thin neck-shaped ligament containing a grain boundary (GB) usually forms between the hot and the cold ends, sustaining an extremely high temperature gradient that should have driven even larger mass flux, if not counteracted by the relative sluggishness of plating into the GB and the resulting back stress. This GB-containing ligament is quite robust and can adapt to varying drawing directions and velocities, imparting good controllability to the nanowire growth in a manner akin to Czochralski crystal growth.

Phase-change heterostructure enables ultralow noise and drift for memory operation.

Artificial intelligence and other data-intensive applications have escalated the demand for data storage and processing. New computing devices, such as phase-change random access memory (PCRAM)-based neuro-inspired devices, are promising options for breaking the von Neumann barrier by unifying storage with computing in memory cells. However, current PCRAM devices have considerable noise and drift in electrical resistance that erodes the precision and consistency of these devices. We designed a phase-change heterostructure (PCH) that consists of alternately stacked phase-change and confinement nanolayers to suppress the noise and drift, allowing reliable iterative RESET and cumulative SET operations for high-performance neuro-inspired computing. Our PCH architecture is amenable to industrial production as an intrinsic materials solution, without complex manufacturing procedure or much increased fabrication cost.

Strengthening in multi-principal element alloys with local-chemical-order roughened dislocation pathways.

High-entropy and medium-entropy alloys are presumed to have a configurational entropy as high as that of an ideally mixed solid solution (SS) of multiple elements in near-equal proportions. However, enthalpic interactions inevitably render such chemically disordered SSs rare and metastable, except at very high temperatures. Here we highlight the wide variety of local chemical ordering (LCO) that sets these concentrated SSs apart from traditional solvent-solute ones. Using atomistic simulations, we reveal that the LCO of the multi-principal-element NiCoCr SS changes with alloy processing conditions, producing a wide range of generalized planar fault energies. We show that the LCO heightens the ruggedness of the energy landscape and raises activation barriers governing dislocation activities. This influences the selection of dislocation pathways in slip, faulting, and twinning, and increases the lattice friction to dislocation motion via a nanoscale segment detrapping mechanism. In contrast, severe plastic deformation reduces the LCO towards random SS.

Large plasticity in magnesium mediated by pyramidal dislocations.

Lightweight magnesium alloys are attractive as structural materials for improving energy efficiency in applications such as weight reduction of transportation vehicles. One major obstacle for widespread applications is the limited ductility of magnesium, which has been attributed to [Formula: see text] dislocations failing to accommodate plastic strain. We demonstrate, using in situ transmission electron microscope mechanical testing, that [Formula: see text] dislocations of various characters can accommodate considerable plasticity through gliding on pyramidal planes. We found that submicrometer-size magnesium samples exhibit high plasticity that is far greater than for their bulk counterparts. Small crystal size usually brings high stress, which in turn activates more [Formula: see text] dislocations in magnesium to accommodate plasticity, leading to both high strength and good plasticity.

Turning a native or corroded Mg alloy surface into an anti-corrosion coating in excited CO2.

Despite their energy-efficient merits as promising light-weight structural materials, magnesium (Mg) based alloys suffer from inadequate corrosion resistance. One primary reason is that the native surface film on Mg formed in air mainly consists of Mg(OH)2 and MgO, which is porous and unprotective, especially in humid environments. Here, we demonstrate an environmentally benign method to grow a protective film on the surface of Mg/Mg alloy samples at room temperature, via a direct reaction of already-existing surface film with excited CO2. Moreover, for samples that have been corroded obviously on surface, the corrosion products can be converted directly to create a new protective surface. Mechanical tests show that compared with untreated samples, the protective layer can elevate the yield stress, suppress plastic instability and prolong compressive strains without peeling off from the metal surface. This environmentally friendly surface treatment method is promising to protect Mg alloys, including those already-corroded on the surface.

Dynamically reinforced heterogeneous grain structure prolongs ductility in a medium-entropy alloy with gigapascal yield strength.

Ductility, i.e., uniform strain achievable in uniaxial tension, diminishes for materials with very high yield strength. Even for the CrCoNi medium-entropy alloy (MEA), which has a simple face-centered cubic (FCC) structure that would bode well for high ductility, the fine grains processed to achieve gigapascal strength exhaust the strain hardening ability such that, after yielding, the uniform tensile strain is as low as ∼2%. Here we purposely deploy, in this MEA, a three-level heterogeneous grain structure (HGS) with grain sizes spanning the nanometer to micrometer range, imparting a high yield strength well in excess of 1 GPa. This heterogeneity results from this alloy's low stacking fault energy, which facilitates corner twins in recrystallization and stores deformation twins and stacking faults during tensile straining. After yielding, the elastoplastic transition through load transfer and strain partitioning among grains of different sizes leads to an upturn of the strain hardening rate, and, upon further tensile straining at room temperature, corner twins evolve into nanograins. This dynamically reinforced HGS leads to a sustainable strain hardening rate, a record-wide hysteresis loop in load-unload-reload stress-strain curve and hence high back stresses, and, consequently, a uniform tensile strain of 22%. As such, this HGS achieves, in a single-phase FCC alloy, a strength-ductility combination that would normally require heterogeneous microstructures such as in dual-phase steels.

New twinning route in face-centered cubic nanocrystalline metals.

Twin nucleation in a face-centered cubic crystal is believed to be accomplished through the formation of twinning partial dislocations on consecutive atomic planes. Twinning should thus be highly unfavorable in face-centered cubic metals with high twin-fault energy barriers, such as Al, Ni, and Pt, but instead is often observed. Here, we report an in situ atomic-scale observation of twin nucleation in nanocrystalline Pt. Unlike the classical twinning route, deformation twinning initiated through the formation of two stacking faults separated by a single atomic layer, and proceeded with the emission of a partial dislocation in between these two stacking faults. Through this route, a three-layer twin was nucleated without a mandatory layer-by-layer twinning process. This route is facilitated by grain boundaries, abundant in nanocrystalline metals, that promote the nucleation of separated but closely spaced partial dislocations, thus enabling an effective bypassing of the high twin-fault energy barrier.

Reducing the stochasticity of crystal nucleation to enable subnanosecond memory writing.

Operation speed is a key challenge in phase-change random-access memory (PCRAM) technology, especially for achieving subnanosecond high-speed cache memory. Commercialized PCRAM products are limited by the tens of nanoseconds writing speed, originating from the stochastic crystal nucleation during the crystallization of amorphous germanium antimony telluride (Ge2Sb2Te5). Here, we demonstrate an alloying strategy to speed up the crystallization kinetics. The scandium antimony telluride (Sc0.2Sb2Te3) compound that we designed allows a writing speed of only 700 picoseconds without preprogramming in a large conventional PCRAM device. This ultrafast crystallization stems from the reduced stochasticity of nucleation through geometrically matched and robust scandium telluride (ScTe) chemical bonds that stabilize crystal precursors in the amorphous state. Controlling nucleation through alloy design paves the way for the development of cache-type PCRAM technology to boost the working efficiency of computing systems.

Sliding of coherent twin boundaries.

Coherent twin boundaries (CTBs) are internal interfaces that can play a key role in markedly enhancing the strength of metallic materials while preserving their ductility. They are known to accommodate plastic deformation primarily through their migration, while experimental evidence documenting large-scale sliding of CTBs to facilitate deformation has thus far not been reported. We show here that CTB sliding is possible whenever the loading orientation enables the Schmid factors of leading and trailing partial dislocations to be comparable to each other. This theoretical prediction is confirmed by real-time transmission electron microscope experimental observations during uniaxial deformation of copper pillars with different orientations and is further validated at the atomic scale by recourse to molecular dynamics simulations. Our findings provide mechanistic insights into the evolution of plasticity in heavily twinned face-centered cubic metals, with the potential for optimizing mechanical properties with nanoscale CTBs in material design.