The essential role of long range elastic interactions in recrystallization is demonstrated using a simple analytical model: pileup rearrangements following absorption of leading dislocations by a dislocation-free embryo provides an additional driving force that results in a drastic decrease of both the nucleation critical radius and the saddle point energy. A very sharp transition is evidenced, at which the saddle point totally disappears and nucleation becomes spontaneous. This transition occurs for a well defined critical stress corresponding to both a critical density of geometrically necessary dislocations and a critical strain, without invoking any critical nucleus size that may be reached with the help of some dislocation microstructure instability. The present model is illustrated here by the case of polycrystalline ice, but may apply to other crystalline material with significant plastic anisotropy, as Zircaloy for instance.
Induction time, a measure of how long one will wait for nucleation to occur, is an important parameter in quantifying nucleation kinetics and its underlying mechanisms. Due to the stochastic nature of nucleation, efficient methods for measuring large number of independent induction times are needed to ensure statistical reproducibility. In this work, we present a novel approach for measuring and analyzing induction times in sessile arrays of microdroplets via deliquescence/recrystallization cycling. With the help of a recently developed image analysis protocol, we show that the interfering dif…
The origin of cube recrystallization texture in medium to high stacking-fault energy fcc metals has been debated for almost 70 years. Despite numerous experimental and simulation studies, many issues regarding the nucleation and growth of cube grains remain unresolved. Here we apply a full field crystal plasticity model utilizing a dislocation density based constitutive theory to study the deformation and texture evolution in copper (Cu) under plane strain compression. Additionally, we use the phase field method, along with a stochastic nucleation model, for static recrystallization simulation…
In nuclear fusion reactors, tungsten will be exposed to high neutron loads at high temper atures (>900 C). The evolution and degradation of the mechanical properties under these conditions is uncertain and therefore constitutes a major risk. Here, the microstructural evolution of tungsten under combined heat and neutron loads is studied, using a multi-scale approach incorporating clusters dynamics and a mean-field recrystallization model. The mean-field recrystallization model contains both nucleation in the bulk and at the grain boundaries. The cluster dynamics model includes the incorporatio…
The recrystallized grain size and texture in alloys can be controlled via the microchemistry state during thermomechanical processing. The influence of concurrent precipitation on recovery and recrystallization is here analyzed by directly correlating (sub)grains of P, CubeND or Cube orientation with second-phase particles in a cold-rolled and non-isothermally annealed Al-Mn alloy. The recrystallized state is dominated by coarse elongated grains with a strong P, weaker CubeND and even weaker Cube texture. The correlated data enables orientation dependent quantification of the density and size …
Dynamic recrystallization is one of the main phenomena responsible for microstructure evolutions during hot forming. Consequently, getting a better understanding of DRX mechanisms and being able to predict them is crucial. This paper proposes a full-field numerical framework to predict the evolution of subgrain structures upon grain growth, continuous dynamic and post-dynamic recrystallization. The microstructure representation into the numerical environment is presented. The developments made to improve substructure description are detailed extensively. Using these simulation tools, simulatio…
Strain heterogeneity at the microstructural level plays a vital role in the deformation and fracture behaviour of dual or multi-phase materials. In the present work, the strain heterogeneity, localization and partitioning arising at the sub-micron scale during elevated temperature (170 °C) tensile deformation of an Mg-5Al-3Ca alloy was investigated using quasi in-situ μ-DIC experiments. The results reveal that the strain is mainly carried by the α-Mg phase, while the intermetallic Laves phase plays a critical role in that strain concentrations build up at the α-Mg matrix and Laves phase interf…
A new method for the simulation of evolving multi-domains problems has been introduced in previous works (RealIMotion), Florez et al. (2020) and further developed in parallel in the context of isotropic Grain Growth (GG) with no consideration for the effects of the Stored Energy (SE) due to dislocations. The methodology consists in a new front-tracking approach where one of the originality is that not only interfaces between grains are discretized but their bulks are also meshed and topological changes of the domains are driven by selective local remeshing operations performed on the Finite El…
We derive a theory that describes homogeneous nucleation of grain boundary (GB) phases. Our analysis takes account of the energy resulting from the GB phase junction, the line defect separating two different GB structures, which is necessarily a dislocation as well as an elastic line force due to the jump in GB stresses. The theory provides analytic forms for the elastic interactions and the core energy of the GB phase junction that, along with the change in GB energy, determine the nucleation barrier. We apply the resulting nucleation model to simulations of GB phase transformations in tungst…
Observing Nucleation and Crystallization of Rocksalt LiF from Molten State through Molecular Dynamics Simulations with Refined Machine-Learned Force Field
An original thermodynamically consistent large strains-based multiphase phase-field (PF) approach of Ginzburg-Landau type is developed for studying the grain boundary (GB)-induced martensitic transformations (MTs) in polycrystalline materials at the nanoscale considering the structural stresses within the interfaces. In this general PF approach, N independent order parameters are used for describing the austenite (A)<->martensite (M) transformations and N(>1) martensitic variants, and another M independent order parameters are considered for describing M(>1) grains in the polycrystalline sampl…
The effect of Al atoms in solid solution on the critical resolved shear stress for twin nucleation and growth was analyzed by means of the combination of diffusion couples with compression tests in micropillars oriented for twinning. The critical resolved shear stress for twin nucleation was higher than that for twin growth and both increased by the same amount with the Al content. Nevertheless, the increase was small ( approx. 10 MPa) for 4 at.%Al but large (up to 60-70 MPa) for 9 at.%Al. These results were in agreement with Labusch-models based on first principles calculations in the dilute …
The deformation mechanisms of an extruded Mg-5Y-0.08Ca (wt. %) alloy were analyzed by means of micropillar compression tests on single crystals along different orientations -- selected to activate specific deformation modes -- as well as slip trace analysis, transmission electron microscopy and transmission Kikuchi diffraction. The polycrystalline alloy presented a remarkable ductility in tension (~32%) and negligible differences in the yield strength between tension and compression. It was found that the presence of Y and Ca in solid solution led to a huge increase in the CRSS for <a> basal s…
Long-term corrosion of glass is studied using polarising light microscopy, FTIR and SEM including EDX and elemental mapping. Early 19th century beads made of lead-potassium glass are the object of the study. Non-uniformly distributed internal stresses were introduced into the studied glass during bead manufacturing. Corrosion of 19th century bead glass has been shown to comprise several mutually connected processes developing in parallel and intensifying one another. These processes are the depolymerization of glass, the directed migration of alkali-metal impurities and local glass leaching, a…
Molecular dynamics simulations have been performed to understand the influence of temperature on the tensile deformation and fracture behavior of $<$111$>$ BCC Fe nanowires. The simulations have been carried out at different temperatures in the range 10-1000 K employing a constant strain rate of $1\times$ $10^8$ $s^{-1}$. The results indicate that at low temperatures (10-375 K), the nanowires yield through the nucleation of a sharp crack and fails in brittle manner. On the other hand, nucleation of multiple 1/2$<$111$>$ dislocations at yielding followed by significant plastic deformation leadi…
The dislocation structures appearing in highly mis-oriented soft/hard grain pairs in near-alpha titanium alloy Ti6242Si were examined with and without the application of load holds (dwell) during fatigue. Dislocation pile-up in a soft grain resulted in internal stresses in an adjacent hard grain which could be relaxed by dislocation multiplication at localized Frank-Read sources, a process assisted by the provision of a relaxation time during a load hold. The rate of this process is suggested to be controlled by <c+a> pyramidal cross-slip and <a> basal junction formation. A high density of <a>…
The effect of slip transfer on the flow strength of various FCC polycrystals was analyzed by means of computational homogenization of a representative volume element of the microstructure. The crystal behavior was governed by a physically-based crystal plasticity model in the framework of finite strains where slip transfer at grain boundaries was allowed between slip systems suitably oriented according to geometrical criteria. Conversely, slip transfer was blocked if the conditions for slip transfer were not fulfilled, leading to the formation of dislocation pile-ups. All the model parameters …
We analyze the dislocation content of grain boundary (GB) phase junctions, i.e., line defects separating two different GB phases coexisting on the same GB plane. While regular GB disconnections have been characterized for a variety of interfaces, GB phase junctions formed by GBs with different structures and different numbers of excess atoms have not been previously studied. We apply a general Burgers circuit analysis to calculate the Burgers vectors b of junctions in two Σ5 Cu boundaries previously simulated with molecular dynamics. The Burgers vectors of these junctions cannot be described b…
