Grain polydispersity and coherent crystal reorientations are features to foster stress hotspots in polycrystalline alloys under load

The mechanical properties of metallic alloys are controlled through the design of their polycrystalline structure via heat treatments. For single-phase microstructures, they aim to achieve a particular average grain diameter to leverage stress hardening or softening. The stochastic nature of the recrystallization process generates a grain size distribution, and the randomness of the crystallographic orientation determines the anisotropy of a mechanical response. We developed a multiscale computational formalism to capture the collective mechanical response of polycrystalline microstructures at unprecedented length scales. We found that for an averaged grain size, the mechanical response is highly dependent on the grain size distribution. The simulations reveal the topological conditions that promote coherent grain texturization and grain growth inhibition during stress relaxation. We identify the microstructural features that are responsible for the appearance of stress hotspots. Our results provide the elusive evidence of how stress hotspots are ideal precursors for plastic and creep failure.

Coherent crystal branches: the impact of tetragonal symmetry on the 2D confined polymer nanostructure

The symmetry of polymer crystals greatly affects the optical, thermal conductivity and mechanical properties of the materials. Past studies have shown that the two-dimensional (2D) confined crystallization of polymer nanorods could produce anisotropic structures. However, few researchers have focused on understanding confined nanostructures from the perspective of crystal symmetry. In this research, we demonstrate the molecular chain self-assembly of tetragonal crystals under cylindrical confinement. We specifically selected poly(4-methyl-1-pentene) (P4MP1) with a 41 or 72 helical conformation (usually crystallizing with a tetragonal lattice) as the model polymer. We found a coherent crystal branching of the tetragonal crystal in the P4MP1 nanorods. The unusual 45°- and 135°-{200} diffractions and the meridional 220 diffraction (from 45°-tilted crystals) have shown a uniform crystal branching between the a 1-axis crystals and the 45°-tilted crystals in the rod long axis, which originates from a structural defect associated with tetragonal symmetry. Surprisingly, this chain packing defect in the tetragonal cell can be controlled to develop along the rod long axis in 2D confinement.

X-Ray Diffraction Study of Shock-Modified Tetragonal Phases of SnO2 and MnO2

X-ray diffraction line-profile analysis on tetragonal forms of SnO2 (cassiterite), MnO2 (pyrolusite), and previously studied TiO2 (rutile), which were subjected to high pressure shock loading, show that residual lattice strain and coherent “crystal” size are a function of shock parameters. An interesting observation on a sample of MnO2 concerns the recovery of cubic Mn2O3 (bixbyite) in the material subjected to 22 GPa, indicating a shock-induced chemical synthesis.