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We review some of the factors that influence the hardness of polycrystalline materials with grain sizes less than 1 µm. The fundamental physical mechanisms that govern the hardness of nanocrystalline materials are discussed. The recently proposed dislocation curvature model for grain size-dependent strengthening and the 60-year-old Hall–Petch relationship are compared. For grains less than 30 nm in size, there is evidence for a transition from dislocation-based plasticity to grain boundary sliding, rotation, or diffusion as the main mechanism responsible for hardness. The evidence surrounding the inverse Hall–Petch phenomenon is found to be inconclusive due to processing artefacts, grain growth effects, and errors associated with the conversion of hardness to yield strength in nanocrystalline materials.

In polycrystalline materials, grain boundaries are sites of enhanced atomic motion, but the complexity of the atomic structures within a grain boundary network makes it difficult to link the structure and atomic dynamics. Here, we use a machine learning technique to establish a connection between local structure and dynamics of these materials. Following previous work on bulk glassy materials, we define a purely structural quantity (softness) that captures the propensity of an atom to rearrange. This approach correctly identifies crystalline regions, stacking faults, and twin boundaries as having low likelihood of atomic rearrangements while finding a large variability within high-energy grain boundaries. As has been found in glasses, the probability that atoms of a given softness will rearrange is nearly Arrhenius. This indicates a well-defined energy barrier as well as a well-defined prefactor for the Arrhenius form for atoms of a given softness. The decrease in the prefactor for low-softness atoms indicates that variations in entropy exhibit a dominant influence on the atomic dynamics in grain boundaries.

The mechanical properties of olivine-rich rocks are key to determining the mechanical coupling between Earth’s lithosphere and asthenosphere. In crystalline materials, the motion of crystal defects is fundamental to plastic flow 1 – 4 . However, because the main constituent of olivine-rich rocks does not have enough slip systems, additional deformation mechanisms are needed to satisfy strain conditions. Experimental studies have suggested a non-Newtonian, grain-size-sensitive mechanism in olivine involving grain-boundary sliding 5 , 6 . However, very few microstructural investigations have been conducted on grain-boundary sliding, and there is no consensus on whether a single or multiple physical mechanisms are at play. Most importantly, there are no theoretical frameworks for incorporating the mechanics of grain boundaries in polycrystalline plasticity models. Here we identify a mechanism for deformation at grain boundaries in olivine-rich rocks. We show that, in forsterite, amorphization takes place at grain boundaries under stress and that the onset of ductility of olivine-rich rocks is due to the activation of grain-boundary mobility in these amorphous layers. This mechanism could trigger plastic processes in the deep Earth, where high-stress conditions are encountered (for example, at the brittle–plastic transition). Our proposed mechanism is especially relevant at the lithosphere–asthenosphere boundary, where olivine reaches the glass transition temperature, triggering a decrease in its viscosity and thus promoting grain-boundary sliding. Amorphization at grain boundaries in olivine-rich rocks under stress and consequent grain-boundary sliding could explain the decrease in viscosity between the lithosphere and the asthenosphere.

The improvement of non-oxide ceramic plasticity while maintaining the high-temperature strength is a great challenge through the classical strategy, which generally includes decreasing grain size to several nanometers or adding ductile binder phase. Here, we report that the plasticity of fully dense boron carbide (B 4 C) is greatly enhanced due to the boundary non-stoichiometry induced by high-pressure sintering technology. The effect decreases the plastic deformation temperature of B 4 C by 200 °C compared to that of conventionally-sintered specimens. Promoted grain boundary diffusion is found to enhance grain boundary sliding, which dominate the lower-temperature plasticity. In addition, the as-produced specimen maintains extraordinary strength before the occurrence of plasticity. The study provides an efficient strategy by boundary chemical change to facilitate the plasticity of ceramic materials. Improving plasticity in non-oxide ceramics while maintaining their high-temperature strength is challenging. Here, the authors report an enhancement of plasticity in B 4 C owing to the boundary non-stoichiometry. The results show excellent strength maintenance before the onset of plasticity.

For understanding the improvement of intergranular stress corrosion cracking (IGSCC) propagation in grain boundary engineering (GBE)-processed metals exposed to a simulated pressurized water reactor (PWR) environment, characteristics of the grain boundary network of 316L stainless steel before and after GBE were investigated and compared, including proportions both in length and in number of ∑3n boundaries, sizes, and topology of grain clusters (or twin-related domains), and connectivity of random boundaries. The term through-view random boundary path (TRBP) was proposed to evaluate the random boundary connectivity. A TRBP is a chain of end-to-end connected crack-susceptible boundaries that passes through the entire mapped microstructure. The work provides the following key findings: (I) the length fraction of ∑3n boundaries was increased to approximately 75% after GBE, but the number fraction was only approximately 50%; (II) a connected non-twin boundary network still existed in the GBE sample due to the formation of grain clusters; (III) the GBE sample exhibited a higher resistance to IGSCC; and (IV) as the twin boundary fraction increased, the number of TRBPs decreased and the normalized length of the minimum TRBP increased monotonically, leading to a higher resistance to IGSCC.

Interstitial oxygen embrittles titanium, particularly at cryogenic temperatures, which necessitates a stringent control of oxygen content in fabricating titanium and its alloys. Here, we propose a structural strategy, via grain refinement, to alleviate this problem. Compared to a coarse-grained counterpart that is extremely brittle at 77 K, the uniform elongation of an ultrafine-grained (UFG) microstructure (grain size ~ 2.0 µm) in Ti-0.3wt.%O is successfully increased by an order of magnitude, maintaining an ultrahigh yield strength inherent to the UFG microstructure. This unique strength-ductility synergy in UFG Ti-0.3wt.%O is achieved via the combined effects of diluted grain boundary segregation of oxygen that helps to improve the grain boundary cohesive energy and enhanced dislocation activities that contribute to the excellent strain hardening ability. The present strategy will not only boost the potential applications of high strength Ti-O alloys at low temperatures, but can also be applied to other alloy systems, where interstitial solution hardening results into an undesirable loss of ductility. Oxygen has long been considered as a detrimental impurity in pure titanium since it can severely deteriorate the ductility. Here, the authors propose a simple, yet effective strategy via grain refinement to solve this long-standing issue, while preserving its potential hardening effect.

Conventional models for grain growth are based on the assumption that grain boundary (GB) velocity is proportional to GB mean curvature. We demonstrate via a series of molecular dynamics (MD) simulations that such a model is inadequate and that many physical phenomena occur during grain boundary migration for which this simple model is silent. We present a series of MD simulations designed to unravel GB migration phenomena and set it in a GB migration context that accounts for competing migration mechanisms, elasticity, temperature, and grain boundary crystallography. The resultant formulation is quantitative and validated through a series of atomistic simulations. The implications of this model for microstructural evolution is described. We show that consideration of GB migration mechanisms invites considerable complexity even under ideal conditions. However, that complexity also grants these systems enormous flexibility, and that flexibility is key to the decades-long success of conventional grain growth theories. Conventional grain growth models assume the velocity of a grain boundary is proportional to its curvature but cannot account for the many deviations observed experimentally. Here, the authors present a model that connects grain growth directly to the disconnection mechanism of grain boundary migration and can account for these deviations.

In order to better understand ice deformation mechanisms, we document the microstructural evolution of ice with increasing strain. We include data from experiments at relatively low temperatures (−20 and −30 ∘C), where the microstructural evolution with axial strain has never before been documented. Polycrystalline pure water ice was deformed under a constant displacement rate (strain rate ∼1.0×10-5 s−1) to progressively higher strains (∼ 3 %, 5 %, 8 %, 12 % and 20 %) at temperatures of −10, −20 and −30 ∘C. Microstructural data were generated from cryogenic electron backscattered diffraction (cryo-EBSD) analyses. All deformed samples contain subgrain (low-angle misorientations) structures with misorientation axes that lie dominantly in the basal plane, suggesting the activity of dislocation creep (glide primarily on the basal plane), recovery and subgrain rotation. Grain boundaries are lobate in all experiments, suggesting the operation of strain-induced grain boundary migration (GBM). Deformed ice samples are characterized by interlocking big and small grains and are, on average, finer grained than undeformed samples. Misorientation analyses between nearby grains in 2-D EBSD maps are consistent with some 2-D grains being different limbs of the same irregular grain in the 3-D volume. The proportion of repeated (i.e. interconnected) grains is greater in the higher-temperature experiments suggesting that grains have more irregular shapes, probably because GBM is more widespread at higher temperatures. The number of grains per unit area (accounting for multiple occurrences of the same 3-D grain) is higher in deformed samples than undeformed samples, and it increases with strain, suggesting that nucleation is involved in recrystallization. “Core-and-mantle” structures (rings of small grains surrounding big grains) occur in −20 and −30 ∘C experiments, suggesting that subgrain rotation recrystallization is active. At temperatures warmer than −20 ∘C, c axes develop a crystallographic preferred orientation (CPO) characterized by a cone (i.e. small circle) around the compression axis. We suggest the c-axis cone forms via the selective growth of grains in easy slip orientations (i.e. ∼ 45∘ to shortening direction) by GBM. The opening angle of the c-axis cone decreases with strain, suggesting strain-induced GBM is balanced by grain rotation. Furthermore, the opening angle of the c-axis cone decreases with temperature. At −30 ∘C, the c-axis CPO changes from a narrow cone to a cluster, parallel to compression, with increasing strain. This closure of the c-axis cone is interpreted as the result of a more active grain rotation together with a less effective GBM. We suggest that lattice rotation, facilitated by intracrystalline dislocation glide on the basal plane, is the dominant mechanism controlling grain rotation. Low-angle neighbour-pair misorientations, relating to subgrain boundaries, are more extensive and extend to higher misorientation angles at lower temperatures and higher strains supporting a relative increase in the importance of dislocation activity. As the temperature decreases, the overall CPO intensity decreases, primarily because the CPO of small grains is weaker. High-angle grain boundaries between small grains have misorientation axes that have distributed crystallographic orientations. This implies that, in contrast to subgrain boundaries, grain boundary misorientation is not controlled by crystallography. Nucleation during recrystallization cannot be explained by subgrain rotation recrystallization alone. Grain boundary sliding of finer grains or a different nucleation mechanism that generates grains with random orientations could explain the weaker CPO of the fine-grained fraction and the lack of crystallographic control on high-angle grain boundaries.

Grain boundary (GB) migration plays an important role in modifying the microstructures and the related properties of polycrystalline materials, and is governed by the atomistic mechanism by which the atoms are displaced from one grain to another. Although such an atomistic mechanism has been intensively investigated, it is still experimentally unclear as to how the GB migration proceeds at the atomic scale. With the aid of high-energy electron-beam irradiation in atomic-resolution scanning transmission electron microscopy, we controllably triggered the GB migration in α-Al 2 O 3 and directly visualized the atomistic GB migration as a stop motion movie. It was revealed that the GB migration proceeds by the cooperative shuffling of atoms on GB ledges along specific routes, passing through several different stable and metastable GB structures with low energies. We demonstrated that GB migration could be facilitated by the GB structural transformations between these low-energy structures. The atomic process of grain boundary migration has been directly observed by scanning transmission electron microscopy, revealing transformations between different stable or metastable grain boundary structures.

Shear-coupled grain boundary (GB) migration is of general significance in the deformation of nanocrystalline and polycrystalline materials, but comprehensive understanding of the migration mechanism at the atomic scale remains largely lacking. Here, we systematically investigate the atomistic migration of Σ11(113) coherent GBs in gold bicrystals using a state-of-art in situ shear testing technique combined with molecular dynamic simulations. We show that shear-coupled GB migration can be realised by the lateral motion of layer-by-layer nucleated GB disconnections, where both single-layer and double-layer disconnections have important contributions to the GB migration through their frequent composition and decomposition. We further demonstrate that the disconnection-mediated GB migration is fully reversible in shear loading cycles. Such disconnection-mediated GB migration should represent a general deformation phenomenon in GBs with different structures in polycrystalline and nanocrystalline materials, where the triple junctions can act as effective nucleation sites of GB disconnections. Shear-induced grain boundary migration at the atomic level is still not well understood. Here the authors combine in situ shear testing experiments and molecular dynamic simulations to reveal the atomistic mechanism of disconnection-mediated GB migration in different gold nanostructures.