Grain growth prediction with inclination dependence of 〈1 1 0〉 tilt grain boundary using multi-phase-field model with penalty for multiple junctions

Multi-phase-field (MPF) model with a higher-order term representing energetic penalty for multiple junctions was proposed to predict the grain growth accompanying the inclination dependence of grain boundary (GB) energy and mobility. The inclination effect was introduced on the basis of GB energy obtained from molecular dynamics (MD) simulations. The preliminary grain growth simulation of an isolated grain surrounded by Σ3 GB certified that the analytical equilibrium shape was well reproduced. The augmented higher-order term added to conventional MPF model could improve convergence and stability of numerical calculations around triple junction (TJ) region even if there exists the large GB energy gap at the TJ. Moreover, the present MPF model can realize well the Young’s relation with no GB inclination effect and further extend to the case with that effect. For the polycrystalline grain growth simulations with the GB energy distribution according to the misorientation angle of Al 〈1 1 0〉 tilt GB, Σ3 GB inclination lead the weak anisotropy characterized by Σ3{111} twin boundary. Besides, the inclination dependence can effectively drive the GBs with low GB energy like the low-angle GB during grain growth.     

An investigation into the influence of grain boundary misorientation on the tensile strength of SiC bicrystals

In this work, molecular dynamics (MD) and Car-Parrinello molecular dynamics (CPMD) simulation-based analyses are performed to understand the influence of grain boundary (GB) misorientation on the tensile strength of SiC bicrystals. The tensile strength is governed by the changes in electron density and bond strength of atoms in GBs. An investigation of dislocation activity during mechanical deformation shows that the extent of the propagation of dislocations across the bicrystal grains is directly proportional to the extent of GB misorientation. An analytical relation that predicts the tensile strength as a function of GB misorientation is developed.     

Local migration of grain boundaries in polycrystalline materials under plastic deformation conditions

We propose a theoretical model describing the local migration of grain boundaries (GBs) near triple junctions according to the new mechanism stimulated by the GB slip. Within the framework of this model, a driving force for the local migration is due to the interaction between sliding and structural GB dislocations responsible for the GB slip and misorientation, respectively.     

Influence of grain boundaries misorientation angle on intergranular corrosion in 2024-T3 aluminium

The special attention has been paid to the influence of misorientation angle of a random grain boundary (GB) on susceptibility to intergranular attack. The detailed observations of the microstructure of the intergranular corrosion (IGC) in 2024-T3 aluminium alloy (AA2024-T3) subjected to galvanic corrosion tests in two different solutions containing chloride ions (0.1 M and 0.5 M NaCl) were carried out using Scanning Electron Microscopy (SEM). The Electron Backscattered Diffraction (EBSD) technique was used to determine the grain boundary character distribution (GBCD) in the initial sample and a GBCD of corroded grain boundaries on a sample subjected to the corrosion test. The results are discussed in terms of the influence of the misorientation angle on the susceptibility of the grain boundaries to corrosion.     

Influence of grain boundary inclination on the grain boundary and triple junction motion in Zn

The experimental results of an investigation of the steady‐state motion of individual grain boundaries (GBs) of natural deformation twin and individual twin GBs in bicrystals and tricrystals with triple junction (TJ) are obtained. For experimental observation of GB mobility from the dependence on GB inclination the Zn specimens with individual GBs and TJs were produced. The mobility of natural deformation twin GBs and twin GBs in bicrystals and tricrystals are compared in connection with the GB inclination.     

Faceting–roughening of twin grain boundaries

The coincidence site lattice (CSL) plays a similar role for grain boundaries (GB) as the crystal lattice plays for free surfaces. The most densely packed CSL is the twin-related CSL, characterized by an inverse density of coincidence sites Σ = 3. Phase diagrams in coordinates “relative temperature T/T _m—misorientation angle θ—inclination angle φ” were constructed for the twin GBs in Cu, Al, and Mo having different stacking fault energy γ. At low γ the twin GB remains faceted at all φ values and the number of crystallographically different facets increases with decreasing temperature. With increasing γ asymmetric twin GBs become more and more rough, and fewer facets appear with decreasing temperature. Also, with increasing γ the facets start to degenerate of into the first order rough-to-rough ridges. The behavior of twin GBs in Cu, Al, and Mo is compared with that of twin GBs in Zn.     

Grain size, grain boundary sliding, and grain boundary interaction effects on nanocrystalline behavior

A dislocation–density grain boundary (GB) interaction scheme, a GB misorientation dependent dislocation–density relation, and a grain boundary sliding (GBS) model are presented to account for the behavior of nanocrystalline aggregates with grain sizes ranging from 25 nm to 200 nm. These schemes are coupled to a dislocation–density multiple slip crystalline plasticity formulation and specialized finite element algorithms to predict the response of nanocrystalline aggregates. These schemes are based on slip system compatibility, local resolved shear stresses, and immobile and mobile dislocation–density evolution. A conservation law for dislocation–densities is used to balance dislocation–density absorption, transmission and emission from the GB. The relation between yield stresses and grain sizes is consistent with the Hall–Petch relation. The results also indicate that GB sliding and grain-size effects affect crack behavior by local dislocation–density and slip evolution at critical GBs. Furthermore, the predictions indicate that GBS increases with decreasing grain sizes, and results in lower normal stresses in critical locations. Hence, GBS may offset strength increases associated with decreases in grain size.     

Migration of specific planar grain boundaries in bicrystals: application of magnetic fields and mechanical stresses

Recent research on the dynamics of planar grain boundaries is reviewed. Novel measuring techniques developed for in situ observation and recording of magnetically and stress driven grain boundary migration are presented. The results of migration measurements obtained on bismuth, zinc and aluminum bicrystals are addressed. The experiments revealed that the inclination of a 〈112〉 tilt boundary in Bi has a very strong influence on its mobility. The migration of planar tilt grain boundaries with different misorientation angles was measured in situ in bicrystals of high purity zinc. The results proved that there is a pronounced misorientation dependence of grain boundary mobility in the investigated angular range. The shear stress induced migration of planar symmetric 〈100〉 tilt boundaries in aluminum bicrystals was observed to be accompanied by a lateral translation of the adjacent grains. The coupling between boundary motion and shearing is not confined to low angle and some low Σ high angle boundaries, but occurs also for non-coincidence high angle 〈100〉 tilt boundaries. It has been found that also for stress induced grain boundary motion there is a misorientation dependence of the migration activation parameters. Lower values of the activation enthalpy and the pre-exponential mobility factor can be associated with boundaries with tilt angles close to low Σ CSL orientation relationships.     

Fatigue Damage Behavior of Freestanding 40 µm‐Thick Nickel Foils for MEMS Applications

Fatigue damage behavior of freestanding 40 µm‐thick Ni foils was investigated. We found that there were evident differences in fatigue behaviors of the foils loaded normal to and parallel to the rolling direction. EBSD analyses revealed that fatigue cracking along grain boundaries (GBs) or slip bands in two kinds of the foils depended on the difference in Schmid factor of the grains along both sides of the GBs and the misorientation angle of the GB. Fatigue damage mechanism was discussed.     

Structures of a Σ = 9, [110]/{221} symmetrical tilt grain boundary in SrTiO<Subscript>3</Subscript>

In this study, we fabricated a bicrystal of SrTiO₃ containing a Σ = 9, [110]/{221} symmetric tilt grain boundary (GB) and its atomistic structure was directly observed by transmission electron microscopy (TEM) and scanning TEM (STEM). We theoretically estimated the most stable structure by first principles calculations, and by combining this with TEM images determined the atomistic structure of the Σ = 9 grain boundary. We found that when the grain boundary is slightly tilted from the coincident site lattice (CSL) orientation, displacement shift complete (DSC) dislocations are introduced at the grain boundary to accommodate the misorientation between the two adjacent crystals while the most stable atomic structure remains unchanged.     

Migration of specific planar grain boundaries in bicrystals: application of magnetic fields and mechanical stresses

Recent research on the dynamics of planar grain boundaries is reviewed. Novel measuring techniques developed for in situ observation and recording of magnetically and stress driven grain boundary migration are presented. The results of migration measurements obtained on bismuth, zinc and aluminum bicrystals are addressed. The experiments revealed that the inclination of a 〈112〉 tilt boundary in Bi has a very strong influence on its mobility. The migration of planar 〈10$ \bar 1 $ \bar 1 0〉 tilt grain boundaries with different misorientation angles was measured in situ in bicrystals of high purity zinc. The results proved that there is a pronounced misorientation dependence of grain boundary mobility in the investigated angular range. The shear stress induced migration of planar symmetric 〈100〉 tilt boundaries in aluminum bicrystals was observed to be accompanied by a lateral translation of the adjacent grains. The coupling between boundary motion and shearing is not confined to low angle and some low Σ high angle boundaries, but occurs also for noncoincidence high angle 〈100〉 tilt boundaries. It has been found that also for stress induced grain boundary motion there is a misorientation dependence of the migration activation parameters. Lower values of the activation enthalpy and the pre-exponential mobility factor can be associated with boundaries with tilt angles close to low Σ CSL orientation relationships.     

Modelling of continuous recrystallization in aluminium alloys

Microstructure and microtexture analyses have been made of three aluminium alloys after annealing alone and after concurrent straining and annealing, and simulative models of microstructure/microtexture evolution processes have been formulated. Both experimental and modelling results are presented as boundary misorientation distributions. For each alloy, the results show that annealing alone does not significantly alter the boundary misorientation distribution, while concurrent straining and annealing (up to a strain of 0.5) decreases the fraction of low-angle boundaries. To understand the mechanisms by which concurrent straining and annealing alter the boundary misorientation distribution, three simulative models of microstructure/microtexture evolution during concurrent straining and annealing have been formulated. Application of the models to experimentally determined initial microstructure/microtexture states shows that the boundary sliding (sub)grain rotation model decreases the fraction of low-angle boundaries, the dislocation glide (sub)grain rotation model increases the fraction of low-angle boundaries, and the (sub)grain neighbour switching model has a modest effect on the boundary misorientation distribution. A combination of the boundary sliding (sub)grain rotation model and the (sub)grain neighbour switching model most closely reproduces the boundary misorientation distributions found experimentally.     

Understanding the enhanced ductility of Mg-Gd with Ca and Zn microalloying by slip trace analysis

This research studied the mechanisms of Ca and Zn microalloying on the enhancement of ductility of extruded Mg-Gd sheet by combing electron backscattered diffraction and slip trace analysis.The ductil-ity and microstructure of extruded Mg-0,6Gd and Mg-0.6Gd-0.3Ca-0,2Zn (wt％) sheets were investigated.Basal slip was the main deformation mode under investigation.Ca and Zn microalloying increased the frequency of grain boundaries (GBs) with misorientation angles (θs) ＜ 35°,promoted slip transfer across GBs and restricted the basal slip localization.In addition,there were a higher number of GB cracks homo-geneously distributed in the Mg-0.6Gd sheet than in the Mg-0.6Gd-0.3Ca-0.2Zn sheet,attributed to the increased cohesion of GBs.The enhancement of basal slip,the suppression of slip localization and the suppression of GB cracking were contributed to the increased ductility for Mg-0.6Gd-0.3Ca-0.2Zn sheet.     

Measurement of local plastic strain distribution of stainless steel by electron backscatter diffraction

Electron backscatter diffraction in conjunction with scanning electron microscopy was used to assess the plastic strain on a microstructural scale (local plastic strain) induced in stainless steel deformed up to a nominal strain of 19.7%. Accuracy of the measurement of misorientations was improved by a technique called the Domain Averaging Method (DAM), in which an average of crystal orientation was calculated for several data measured from the same domain. It was shown that the misorientation evaluated using the crystal orientation of which accuracy was improved by DAM showed localized plastic strain in the vicinity of grain boundaries (GB). The distribution of misorientations followed a log-normal distribution and the mean value correlated well with the macroscopic plastic strain induced. By using the correlation between the misorientation and the plastic strain, the distribution of local plastic strain could be quantified. It was shown that the plastic strain becomes more than 15% locally under a macroscopic strain of 4.9%. A procedure for confirming the accuracy of the measurement is also suggested.     

Critical Current Density Through Grain Boundaries in High-Temperature Superconductors

In this paper, a theoretical study is proposed based on the assumption that the vortices on low-angle grain boundaries (GBs) in high-temperature superconductor (HTS) are mixed Abrikosov-Josephson (AJ) vortices. The critical current density through GB is obtained on the basis of the Bean critical model and the assumption that the periods of AJ vortices coincide with the ones of Abrikosov (A) vortices. The model also enables us to calculate J _c of HTS with an inclined GB. In addition, the effect of strain on critical current density is also taken into account in this model by considering the strain dependence of deparing current density within GB. There is a good agreement of our results with the classical power-law expression. The model proposed in this work can be used for simultaneous studies of the effects of misorientation angles, GB-inclined angles, and applied fields on the critical current density of polycrystalline HTS.     

Cohesive zone simulation of grain size and misorientation effects on hydrogen embrittlement in nickel

The size and misorientation effects on hydrogen embrittlement of a four grain nickel aggregate are studied with the help of hydrogen informed cohesive zone model. The grain misorientation angle is parameterized by fixing the lower grains while rotating the upper grains about the out-of-plane axis. Brittle failure of the grain aggregate is observed and nominal strength obtained. In the crack-free situation, the grain misorientation exerts an obvious weakening effect on the nominal strength, which is most pronounced at misorientation angles around 20°. Such trend applies to the pre-cracked situation but is much less pronounced. Both misorientation and pre-crack lead to size effect. The nominal strength shows a decreasing trend with the grain size, indicating that grain refinement tends to improve the load bearing capacity, which coincides with the observation in practice. Further, it is shown that the size effect diagram without hydrogen can be divided into three regimes. The conclusions apply to the case with hydrogen, except that the trend of the size effect curve can be affected by large grain sizes due to the longer absolute distance of hydrogen diffusion. These results provide guidelines for grain boundary engineering and for nanomechanical tests aiming at calibrating the intergranular decohesion parameters.     

Accumulation of coincidence site lattice boundaries during grain growth

Abstract

Monte Carlo simulations were used to investigate the effect of grain growth on the coincidence site lattice (CSL) boundary content of randomly textured polycrystals. Each grain was assigned an orientation, and grain boundary properties were dependent on both the boundary misorientation and the CSL character. While low misorientation angle boundaries (LABs) increase during growth, the fraction of CSL boundaries does not change with time. Decreasing CSL boundary energy and mobility did not alter these results. In contrast with LABs, which are characterised by a scalar misorientation angle, a particular combination of three independent rotation variables is required to create a low energy CSL boundary; thus, these boundaries are unlikely to form or to persist in a random polycrystal. While texture influences boundary formation, a texture that can enhance CSL boundaries is not apparent. Boundary plane effects should not increase CSL fraction during grain growth.     

Changes in misorientations of grain boundaries in titanium during deformation

The changes in grain boundary misorientations during plastic deformation of titanium were studied by means of the EBSD technique. The misorientation of all types of the grain boundaries including low- and high-angle boundaries, coincident site lattice (twin) and arbitrary boundaries, deformation-induced boundaries and the boundaries of the original grains was found to change during deformation. It was shown that the deformation may result in either increasing or lowering of the boundaries misorientation and different segments of the same grain boundary may develop principally differently. The most significant changes of the boundary misorientation were found to be associated with the boundary junctions. The change in misorientations during deformation was discussed in terms of the interaction of a boundary with dislocations and/or with other boundaries.