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H-enhanced slip planarity is generally explained in terms of H-reducing stacking fault energy in fcc systems. Here, we showed that H-decreasing dislocation line energies can enhance the tendency toward slip planarity in bcc Fe through systematically studying the interaction between H and 1/2 110 dislocations using the EAM potential for Fe-H systems. It was found that the binding energy of H, the excess H in the atmosphere, and the interaction energy of H increased with edge components, leading to larger decrements in the line energies of the edge and increased mixed dislocations than those of a screw dislocation. The consequence of such interaction patterns is an increment in the energy change in the system when the edge and mixed dislocations are converted to screw dislocations as compared to the H-free cases. The cross-slip in bcc Fe is thus suppressed by H, increasing the tendency toward slip planarity.

The anomalous flow behavior of the γ′-Ni3Al phase at high temperature is closely related to a cross-slip of 1/2110111 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 APB111 was constructed to assess the difficulty of cross-slips of 1/2110111 super-partial dislocations from 111 planes to 001 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 1/2110111 super-partial dislocations, and the existence of APB111 could promote cross-slip of second leading 1/2110111 super-partial dislocations. A detailed calculation of stacking fault energies demonstrated that an obvious Suzuki segregation of Re existed at APB111 and APB001, and Re preferentially occupied Ni sublattice sites. It is found Re-segregations at APB111 were disadvantageous for the cross-slip of new 1/2110111 super-partial dislocations, but the formation of more Kear-Wilsdorf dislocation locks could benefit from Re-segregations at APB001.

The AA7050 alloy prepared through the standard industrial hot-forging cycle has been investigated by means of isothermal mechanical spectroscopy (MS) from room temperature up to 185 °C. Each MS test consisted of a cycle with two stages, at increasing and decreasing strain. After each cycle the damping value resulted to be higher than the original one indicating the occurrence of an irreversible transformation. Such phenomenon, observed for all the test temperatures, becomes more relevant for T ≥ 150 °C. The irreversible transformation has been discussed and explained by considering the evolution of the mean dislocation link length between pinning points represented by nanometric MgZn2 precipitates. The breakaway of dislocation segments from pinning points occurs in the stage at increasing strain and is not fully recovered during the second stage at decreasing strain thus the mean link length increases in a MS test cycle. The onset of thermal activated dislocation cross-slip at about 150 °C favors the dislocation breakaway and consequently enhances the effect on damping.

Refractory high-entropy alloys (RHEAs) are designed for high elevated-temperature strength, with both edge and screw dislocations playing an important role for plastic deformation. However, they can also display a significant energetic driving force for chemical short-range ordering (SRO). Here, we investigate mechanisms underlying the mobilities of screw and edge dislocations in the body-centered cubic MoNbTaW RHEA over a wide temperature range using extensive molecular dynamics simulations based on a highly-accurate machine-learning interatomic potential. Further, we specifically evaluate how these mechanisms are affected by the presence of SRO. The mobility of edge dislocations is found to be enhanced by the presence of SRO, whereas the rate of double-kink nucleation in the motion of screw dislocations is reduced, although this influence of SRO appears to be attenuated at increasing temperature. Independent of the presence of SRO, a cross-slip locking mechanism is observed for the motion of screws, which provides for extra strengthening for refractory high-entropy alloy system. Refractory high entropy alloys hold big promise for elevated-temperature applications. Here the authors investigate the influence of short-range order on the mobility of dislocations in high-entropy alloys by large-scale molecular dynamics simulation based on a machine-learning interatomic potential.

Hexagonal close-packed (hcp) metals such as Mg, Ti, and Zr are lightweight and/or durable metals with critical structural applications in the automotive (Mg), aerospace (Ti), and nuclear (Zr) industries. The hcp structure, however, brings significant complications in the mechanisms of plastic deformation, strengthening, and ductility, and these complications pose significant challenges in advancing the science and engineering of these metals. In hcp metals, generalized plasticity requires the activation of slip on pyramidal planes, but the structure, motion, and cross-slip of the associated 〈c + a〉 dislocations are not well established even though they determine ductility and influence strengthening. Here, atomistic simulations in Mg reveal the unusual mechanism of 〈c + a〉 dislocation cross-slip between pyramidal I and II planes, which occurs by cross-slip of the individual partial dislocations. The energy barrier is controlled by a fundamental step/jog energy and the near-core energy difference between pyramidal 〈c + a〉 dislocations. The near-core energy difference can be changed by nonglide stresses, leading to tension–compression asymmetry and even a switch in absolute stability from one glide plane to the other, both features observed experimentally in Mg, Ti, and their alloys. The unique cross-slip mechanism is governed by common features of the generalized stacking fault energy surfaces of hcp pyramidal planes and is thus expected to be generic to all hcp metals. An analytical model is developed to predict the cross-slip barrier as a function of the near-core energy difference and applied stresses and quantifies the controlling features of cross-slip and pyramidal I/II stability across the family of hcp metals.

Development of ductile magnesium alloys is key to their use in reducing the weight of vehicles and other applications. Wu et al. tackle this issue by determining the underlying mechanisms in unprocessed magnesium alloys. Dilute amounts of solutes enhanced certain ductility-improving mechanisms over ones that cause brittle fracture. From this, the authors developed a theory that may be helpful for screening the large number of potential magnesium alloy compositions. Science , this issue p. 447 Specific solutes promote ductility-improving slip mechanisms in magnesium alloys. Pure magnesium exhibits poor ductility owing to pyramidal 〈 c + a 〉 dislocation transformations to immobile structures, making this lowest-density structural metal unusable for many applications where it could enhance energy efficiency. We show why magnesium can be made ductile by specific dilute solute additions, which increase the 〈 c + a 〉 cross-slip and multiplication rates to levels much faster than the deleterious 〈 c + a 〉 transformation, enabling both favorable texture during processing and continued plastic straining during deformation. A quantitative theory establishes the conditions for ductility as a function of alloy composition in very good agreement with experiments on many existing magnesium alloys, and the solute-enhanced cross-slip mechanism is confirmed by transmission electron microscopy observations in magnesium-yttrium. The mechanistic theory can quickly screen for alloy compositions favoring conditions for high ductility and may help in the development of high-formability magnesium alloys.

High-entropy alloys are a class of materials that contain five or more elements in near-equiatomic proportions 1 , 2 . Their unconventional compositions and chemical structures hold promise for achieving unprecedented combinations of mechanical properties 3 – 8 . Rational design of such alloys hinges on an understanding of the composition–structure–property relationships in a near-infinite compositional space 9 , 10 . Here we use atomic-resolution chemical mapping to reveal the element distribution of the widely studied face-centred cubic CrMnFeCoNi Cantor alloy 2 and of a new face-centred cubic alloy, CrFeCoNiPd. In the Cantor alloy, the distribution of the five constituent elements is relatively random and uniform. By contrast, in the CrFeCoNiPd alloy, in which the palladium atoms have a markedly different atomic size and electronegativity from the other elements, the homogeneity decreases considerably; all five elements tend to show greater aggregation, with a wavelength of incipient concentration waves 11 , 12 as small as 1 to 3 nanometres. The resulting nanoscale alternating tensile and compressive strain fields lead to considerable resistance to dislocation glide. In situ transmission electron microscopy during straining experiments reveals massive dislocation cross-slip from the early stage of plastic deformation, resulting in strong dislocation interactions between multiple slip systems. These deformation mechanisms in the CrFeCoNiPd alloy, which differ markedly from those in the Cantor alloy and other face-centred cubic high-entropy alloys, are promoted by pronounced fluctuations in composition and an increase in stacking-fault energy, leading to higher yield strength without compromising strain hardening and tensile ductility. Mapping atomic-scale element distributions opens opportunities for understanding chemical structures and thus providing a basis for tuning composition and atomic configurations to obtain outstanding mechanical properties. In high-entropy alloys, atomic-resolution chemical mapping shows that swapping some of the atoms for larger, more electronegative elements results in atomic-scale modulations that produce higher yield strength, excellent strain hardening and ductility.

It has been known for decades that the application of pulsed direct current can significantly enhance the formability of metals. However, the detailed mechanisms of this effect have been difficult to separate from simple Joule heating. Here, we study the electroplastic deformation of Ti–Al (7 at.% Al), an alloy that is uniquely suited for uncoupling this behaviour because, contrary to most metals, it has inherently lower ductility at higher temperature. We find that during mechanical deformation, electropulsing enhances cross-slip, producing a wavy dislocation morphology, and enhances twinning, which is similar to what occurs during cryogenic deformation. As a consequence, dislocations are prevented from localizing into planar slip bands that would lead to the early failure of the alloy under tension. Our results demonstrate that this macroscopic electroplastic behaviour originates from defect-level microstructural reconfiguration that cannot be rationalized by simple Joule heating. Transmission electron microscopy reveals the electroplastic effects in a Ti–Al alloy, which can be uncoupled from Joule heating effects. Electropulsing during deformation enhances wavy slip of dislocations, reconfiguring the dislocation pattern, and hence increases the ductility.

Oxygen, one of the most abundant elements on Earth, often forms an undesired interstitial impurity or ceramic phase (such as an oxide particle) in metallic materials. Even when it adds strength, oxygen doping renders metals brittle 1 – 3 . Here we show that oxygen can take the form of ordered oxygen complexes, a state in between oxide particles and frequently occurring random interstitials. Unlike traditional interstitial strengthening 4 , 5 , such ordered interstitial complexes lead to unprecedented enhancement in both strength and ductility in compositionally complex solid solutions, the so-called high-entropy alloys (HEAs) 6 – 10 . The tensile strength is enhanced (by 48.5 ± 1.8 per cent) and ductility is substantially improved (by 95.2 ± 8.1 per cent) when doping a model TiZrHfNb HEA with 2.0 atomic per cent oxygen, thus breaking the long-standing strength–ductility trade-off 11 . The oxygen complexes are ordered nanoscale regions within the HEA characterized by (O, Zr, Ti)-rich atomic complexes whose formation is promoted by the existence of chemical short-range ordering among some of the substitutional matrix elements in the HEAs. Carbon has been reported to improve strength and ductility simultaneously in face-centred cubic HEAs 12 , by lowering the stacking fault energy and increasing the lattice friction stress. By contrast, the ordered interstitial complexes described here change the dislocation shear mode from planar slip to wavy slip, and promote double cross-slip and thus dislocation multiplication through the formation of Frank–Read sources (a mechanism explaining the generation of multiple dislocations) during deformation. This ordered interstitial complex-mediated strain-hardening mechanism should be particularly useful in Ti-, Zr- and Hf-containing alloys, in which interstitial elements are highly undesirable owing to their embrittlement effects, and in alloys where tuning the stacking fault energy and exploiting athermal transformations 13 do not lead to property enhancement. These results provide insight into the role of interstitial solid solutions and associated ordering strengthening mechanisms in metallic materials. Ordered oxygen complexes in high-entropy alloys enhance both strength and ductility in these compositionally complex solid solutions.

Plastic deformation in crystalline materials occurs through dislocation slip and strengthening is achieved with obstacles that hinder the motion of dislocations. At relatively low temperatures, dislocations bypass the particles by Orowan looping, particle shearing, cross-slip or a combination of these mechanisms. At elevated temperatures, atomic diffusivity becomes appreciable, so that dislocations can bypass the particles by climb processes. Climb plays a crucial role in the long-term durability or creep resistance of many structural materials, particularly under extreme conditions of load, temperature and radiation. Here we systematically examine dislocation-particle interaction mechanisms. The analysis is based on three-dimensional discrete dislocation dynamics simulations incorporating impenetrable particles, elastic interactions, dislocation self-climb, cross-slip and glide. The core diffusion dominated dislocation self-climb process is modelled based on a variational principle for the evolution of microstructures, and is coupled with dislocation glide and cross-slip by an adaptive time-stepping scheme to bridge the time scale separation. The stress field caused by particles is implemented based on the particle–matrix mismatch. This model is helpful for understanding the fundamental particle bypass mechanisms and clarifying the effects of dislocation glide, climb and cross-slip on creep deformation.