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1. Critical Shape for the Growth of Grain Boundary Twin Embryos in Mg and Mg Alloys: Crystal Plasticity Modeling

   https://doi.org/10.3390/alloys1020013  

   Su, Yanqing ; Arul Kumar, M. ; Beyerlein, Irene J. ( September 2022 , Alloys)

   Application of polycrystalline hexagonal close packed (HCP) metals in engineering designs has been constrained by their anisotropic responses due to twinning and limited plasticity. In deformation, twins most often initiate at grain boundaries (GBs), and thicken and propagate across the grain. In this work, the GB twin embryos in Mg and Mg alloys, and the conditions that influence their propagation are investigated. Using a micromechanical crystal plasticity model, the role of embryo shape on the driving forces prevailing at the embryo boundaries that could support its expansion is studied. The modeled embryos are either planar, extending more in the shear direction than normal to the twin plane, or equiaxed. Results show that the thinner the embryo, the greater the driving forces for both thickening and forward propagation. Alloys with low prismatic-to-basal critical resolved shear stress (CRSS) ratios promote embryo thickening and large CRSS values for the slip mode that primarily accommodates the twin shear encourage propagation. The neighboring grains with orientations that enable local accommodation of the embryo twin shear by pyramidal slip promote forward propagation but have little effect on thickening. When two like embryos lie along the same GB, their paired interaction promotes forward propagation but hinders thickening. 

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2. A coupled model for phase mixing, grain damage and shear localization in the lithosphere: comparison to lab experiments

   https://doi.org/10.1093/gji/ggac428  

   Bercovici, David ; Mulyukova, Elvira ; Girard, Jennifer ; Skemer, Philip ( November 2022 , Geophysical Journal International)

   SUMMARY The occurrence of plate tectonics on Earth is rooted in the physics of lithospheric ductile weakening and shear-localization. The pervasiveness of mylonites at lithospheric shear zones is a key piece of evidence that localization correlates with reduction in mineral grain size. Most lithospheric mylonites are polymineralic and the interaction between mineral phases, such as olivine and pyroxene, especially through Zener pinning, impedes normal grain growth while possibly enhancing grain damage, both of which facilitate grain size reduction and weakening, as evident in lab experiments and field observations. The efficacy of pinning, however, relies on the mineral phases being mixed and dispersed at the grain scale, where well-mixed states lead to greater mylonitization. To model grain mixing between different phases at the continuum scale, we previously developed a theory treating grain-scale processes as diffusion between phases, but driven by imposed compressive stresses acting on the boundary between phases. Here we present a new model for shearing rock that combines our theory for diffusive grain mixing, 2-D non-Newtonian flow and two-phase grain damage. The model geometry is designed specifically for comparison to torsional shear-deformation experiments. Deformation is either forced by constant velocity or constant stress boundary conditions. As the layer is deformed, mixing zones between different mineralogical units undergo enhanced grain size reduction and weakening, especially at high strains. For constant velocity boundary experiments, stress drops towards an initial piezometric plateau by a strain of around 4; this is also typical of monophase experiments for which this initial plateau is the final steady state stress. However, polyphase experiments can undergo a second large stress drop at strains of 10–20, and which is associated with enhanced phase mixing and resultant grain size reduction and weakening. Model calculations for polyphase media with grain mixing and damage capture the experimental behaviour when damage to the interface between phases is moderately slower or less efficient than damage to the grain boundaries. Other factors such as distribution and bulk fraction of the secondary phase, as well as grain-mixing diffusivity also influence the timing of the second stress drop. For constant stress boundary conditions, the strain rate increases during weakening and localization. For a monophase medium, there is theoretically one increase in strain rate to a piezometric steady state. But for the polyphase model, the strain rate undergoes a second abrupt increase, the timing for which is again controlled by interface damage and grain mixing. The evolution of heterogeneity through mixing and deformation, and that of grain size distributions also compare well to experimental observations. In total, the comparison of theory to deformation experiments provides a framework for guiding future experiments, scaling microstructural physics to geodynamic applications and demonstrates the importance of grain mixing and damage for the formation of plate tectonic boundaries. 

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3. Characterization of Staggered Twin Formation in HCP Magnesium

   https://doi.org/10.1007/978-3-030-05789-3_31  

   Arul Kumar, M. ; Leu, Brandon ; Rottmann, Paul ; Beyerlein, Irene J. ( April 2019 , Magnesium technology)

   Twins in hexagonal close-packed polycrystals, most often nucleate at grain-boundaries (GBs), propagate into the grain and terminate at opposing GBs. Regularly, multiple parallel twins of the same variant form inside the same grain. When twins terminate inside the grains, rather than the grain boundary, they tend to form a staggered structure. Whether a staggered twin structure or the more common grain spanning twin structure forms can greatly affect mechanical behavior. In this work, the underlying mechanism for the formation of staggered twins is studied using an elasto-visco-plastic fast Fourier transform model, which quantifies the local stresses associated with 1012-type staggered twins in magnesium for different configurations. The model results suggest that when a twin tip is close to the lateral side of another twin, the driving force for twin propagation is significantly reduced. As a result, the staggered twin structure forms. 

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4. First evaluation of stiff-in-soft host–inclusion systems: experimental synthesis of zircon inclusions in quartz crystals

   https://doi.org/10.1007/s00410-023-02081-1  

   Gonzalez, Joseph P. ; Thomas, Jay B. ; Mazzucchelli, Mattia L. ; Angel, Ross J. ; Alvaro, Matteo ( January 2024 , Contributions to Mineralogy and Petrology)

   Quartz crystals with zircon inclusions were synthesized using a piston-cylinder apparatus to experimentally evaluate the use of inclusions in “soft” host minerals for elastic thermobarometry. Synthesized zircon inclusion strains and, therefore, pressures (P_inc) were measured using Raman spectroscopy and then compared with the expected inclusion strains and pressures calculated from elastic models. Measured inclusion strains and inclusion pressures are systematically more tensile than the expected values and, thus, re-calculated entrapment pressures are overestimated. These discrepancies are not caused by analytical biases or assumptions in the elastic models and strain calculations. Analysis shows that inclusion strain discrepancies progressively decrease with decreasing experimental temperature in the α-quartz field. This behavior is consistent with inelastic deformation of the host–inclusion pairs induced by the development of large differential stresses during experimental cooling. Therefore, inclusion strains are more reliable for inclusions trapped at lower temperature conditions in the α-quartz field where there is less inelastic deformation of the host–inclusion systems. On the other hand, entrapment isomekes of zircon inclusions entrapped in the β-quartz stability field plot along the α–β quartz phase boundary, suggesting that the inclusion strains were mechanically reset at the phase boundary during experimental cooling and decompression. Therefore, inclusions contained in soft host minerals can be used for elastic thermobarometry and inclusions contained in β-quartz may provide constraints on theP–Tat which the host–inclusion system crossed the phase boundary during exhumation.

    

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5. The amalgamation of Gondwana: calcite twinning and finite strains from the early–late Paleozoic Buzios, Ross, Kurgiakh and Gondwanide orogens

   https://doi.org/10.1144/SP531-2022-165  

   Craddock, John ; Paulsen, Timothy ; da Silva Schmitt, Renata ; Johnston, Stephen T. ; Myrow, Paul M. ; Hughes, Nigel C. ( October 2022 , Geological Society, London, Special Publications)

   Abstract Orientated carbonate (calcite twinning strains; n = 78 with 2414 twin measurements) and quartzites (finite strains; n = 15) were collected around Gondwana to study the deformational history associated with the amalgamation of the supercontinent. The Buzios orogen (545–500 Ma), within interior Gondwana, records the high-grade collisional orogen between the São Francisco Craton (Brazil) and the Congo–Angola Craton (Angola and Namibia), and twinning strains in calc-silicates record a SE–NW shortening fabric parallel to the thrust transport. Along Gondwana's southern margin, the Saldanian–Ross–Delamerian orogen (590–480 Ma) is marked by a regional unconformity that cuts into deformed Neoproterozoic–Ordovician sedimentary rocks and associated intrusions. Cambrian carbonate is preserved in the central part of the southern Gondwana margin, namely in the Kango Inlier of the Cape Fold Belt and the Ellsworth, Pensacola and Transantarctic mountains. Paleozoic carbonate is not preserved in the Ventana Mountains in Argentina, in the Falkland Islands/Islas Malvinas or in Tasmania. Twinning strains in these Cambrian carbonate strata and synorogenic veins record a complex, overprinted deformation history with no stable foreland strain reference. The Kurgiakh orogen (490 Ma) along Gondwana's northern margin is also defined by a regional Ordovician unconformity throughout the Himalaya; these rocks record a mix of layer-parallel and layer-normal twinning strains with a likely Himalayan (40 Ma) strain overprint and no autochthonous foreland strain site. Conversely, the Gondwanide orogen (250 Ma) along Gondwana's southern margin has three foreland (autochthonous) sites for comparison with 59 allochthonous thrust-belt strain analyses. From west to east, these include: finite strains from Devonian quartzite preserve a layer-parallel shortening (LPS) strain rotated clockwise in the Ventana Mountains of Argentina; frontal (calcite twins) and internal (quartzite strains) samples in the Cape Fold Belt preserve a LPS fabric that is rotated clockwise from the autochthonous north–south horizontal shortening in the foreland strain site; Falkland Devonian quartzite shows the same clockwise rotation of the LPS fabric; and Permian limestone and veins in Tasmania record a thrust transport-parallel LPS fabric. Early amalgamation of Gondwana (Ordovician) is preserved by local layer-parallel and layer-normal strain without evidence of far-field deformation, whereas the Gondwanide orogen (Permian) is dominated by layer-parallel shortening, locally rotated by dextral shear along the margin, that propagated across the supercontinent. 

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