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High-resolution transmission electron microscopy and atom probe tomography are used to characterize the initial passivation and subsequent intergranular corrosion of degraded grain boundaries in a model Ni-30Cr alloy exposed to 360 °C hydrogenated water. Upon initial exposure for 1000 h, the alloy surface directly above the grain boundary forms a thin passivating film of Cr 2 O 3 , protecting the underlying grain boundary from intergranular corrosion. However, the metal grain boundary experiences severe Cr depletion and grain boundary migration during this initial exposure. To understand how Cr depletion affects further corrosion, the local protective film was sputtered away using a glancing angle focused ion beam. Upon further exposure, the surface fails to repassivate, and intergranular corrosion is observed through the Cr-depleted region. Through this combination of high-resolution microscopy and localized passive film removal, we show that, although high-Cr alloys are resistant to intergranular attack and stress corrosion cracking, degradation-induced changes in the underlying metal at grain boundaries make the material more susceptible once the initial passive film is breached.

In a previous study, using high-resolution transmission electron microscopy (HRTEM), we examined grain-boundary migration behavior in a Ni bicrystal. A specimen for transmission electron microscopy (TEM) was prepared using focused ion beam. The Ni lamella in the specimen was composed of two grains with surface normal directions of [1 0 0] and [1 1 0]. As the lamella was heated to 600 °C in a TEM, it was subjected to compressive stresses. The stress state of the Ni lamella approximated to the isostress condition, which was confirmed by a finite element method. However, the stress development was not experimentally confirmed in the previous study. In the present study, we present an observation of stacking faults with a length of 40-70 nm at the grain boundary as direct evidence of the stress development.

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.

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.

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.

Alloying by grain boundary diffusion-induced grain boundary migration is investigated by secondary neutral mass spectrometry depth profiling in Ag/Au and Ag/Pd nanocrystalline thin film systems. It is shown that the compositions in zones left behind the moving boundaries can be determined by this technique if the process takes place at low temperatures where solely the grain boundary transport is the contributing mechanism and the gain size is less than the half of the grain boundary migration distance. The results in Ag/Au system are in good accordance with the predictions given by the step mechanism of grain boundary migration, i.e., the saturation compositions are higher in the slower component (i.e., in Au or Pd). It is shown that the homogenization process stops after reaching the saturation values and further intermixing can take place only if fresh samples with initial compositions, according to the saturation values, are produced and heat treated at the same temperature. The reversal of the film sequence resulted in the reversal of the inequality of the compositions in the alloyed zones, which is in contrast to the above theoretical model, and explained by possible effects of the stress gradients developed by the diffusion processes itself.

Advanced nanodevices require reliable nanocomponents where mechanically-induced irreversible structural damage should be largely prevented. However, a practical methodology to improve the plastic reversibility of nanosized metals remains challenging. Here, we propose a grain boundary (GB) engineering protocol to realize controllable plastic reversibility in metallic nanocrystals. Both in situ nanomechanical testing and atomistic simulations demonstrate that custom-designed low-angle GBs with controlled misorientation can endow metallic bicrystals with endurable cyclic deformability via GB migration. Such fully reversible plasticity is predominantly governed by the conservative motion of Shockley partial dislocation pairs, which fundamentally suppress damage accumulation and preserve the structural stability. This reversible deformation is retained in a broad class of face-centred cubic metals with low stacking fault energies when tuning the GB structure, external geometry and loading conditions over a wide range. These findings shed light on practical advances in promoting cyclic deformability of metallic nanomaterials. Improving the reversible plastic deformability and damage tolerance of nanosized metals remains challenging. Here, the authors custom-design low angle grain boundaries in metallic bicrystals to achieve controllable plastic reversibility via fully conservative grain boundary migration.

Fatigue in metals involves gradual failure through incremental propagation of cracks under repetitive mechanical load. In structural applications, fatigue accounts for up to 90% of in-service failure 1 , 2 . Prevention of fatigue relies on implementation of large safety factors and inefficient overdesign 3 . In traditional metallurgical design for fatigue resistance, microstructures are developed to either arrest or slow the progression of cracks. Crack growth is assumed to be irreversible. By contrast, in other material classes, there is a compelling alternative based on latent healing mechanisms and damage reversal 4 – 9 . Here, we report that fatigue cracks in pure metals can undergo intrinsic self-healing. We directly observe the early progression of nanoscale fatigue cracks, and as expected, the cracks advance, deflect and arrest at local microstructural barriers. However, unexpectedly, cracks were also observed to heal by a process that can be described as crack flank cold welding induced by a combination of local stress state and grain boundary migration. The premise that fatigue cracks can autonomously heal in metals through local interaction with microstructural features challenges the most fundamental theories on how engineers design and evaluate fatigue life in structural materials. We discuss the implications for fatigue in a variety of service environments. We report that fatigue cracks in pure metals can undergo intrinsic self-healing; they were observed to heal by crack flank cold welding induced by local stress state and grain boundary migration.

Recent progress in the kinetics of grain coarsening and abnormal grain growth (AGG) is presented in this overview article. The factors affecting the kinetics of grain growth is reviewed with the emphasis on the recent findings on the solute drag and Zener pinning effects as well as the special case of duplex alloys, where the latter is discussed for the behavior of dual-phase steels during intercritical annealing. The common isothermal kinetics models for grain growth are listed, which is followed by the critical discussion on the simplifications and the commonly used methods for the determination of grain growth exponent ( n ) and activation energy ( Q ). The obtained values of n and Q for several classes of important engineering alloys such as microalloyed steels, stainless steels, magnesium alloys, aluminum alloys, titanium alloys, and high-entropy alloys are summarized with the discussion on the obtained values of kinetics parameters and their deviation from the theoretical expectations. Finally, the factors leading to AGG (such as the coarsening and dissolution of pinning particles and the crystallographic texture), the proposed mechanisms (such as the solid-state wetting and the grain boundary faceting/defaceting phenomena), and the kinetics of AGG (based on the empirical power law and the similarity of AGG to primary recrystallization in the form of secondary recrystallization) are reviewed. This overview can shed light on the understanding of grain growth and its effects.

Solidification processing is essential to the manufacture of various metal products, including additive manufacturing. Solidification grain boundaries (SGBs) result from the solidification of the last liquid film between two abutting grains of different orientations. They can migrate, but unlike normal GB migration, SGB migration (SGBM) decouples SGBs from solidification microsegregation, further affecting material properties. Here, we first show the salient features of SGBM in magnesium-tin alloys solidified with cooling rates of 8−1690 °C/s. A theoretical model is then developed for SGBM in dilute binary alloys, focusing on the effect of solute type and content, and applied to 10 alloy systems with remarkable agreement. SGMB does not depend on cooling rate or time but relates to grain size. It tends to occur athermally. The findings of this study extend perspectives on solidification grain structure formation and control for improved performance (e.g. hot or liquation cracking during reheating, intergranular corrosion or fracture). Solidification grain boundary migration (SGBM) occurs in metals and alloys manufactured by casting, welding, or 3D printing, and it affects material properties, but its mechanisms remain largely unknown. Here, the authors show how SGBM can be predicted in various alloys under different conditions.