Formation and dissociation of shear-induced high-energy dislocations: insight from molecular dynamics simulations

Solid-phase processing (SPP) allows one to create complex microstructures, not achievable via thermal processing alone. The resulting structures exhibit a rich palette of defects, both thermal and non-thermal, including defect substructures, such as dislocation networks. It is essential to understand the mechanisms of deformation and defect structure formation to guide SPP towards achieving desired microstructures and material properties. In this study, large-scale molecular dynamics simulations are used to investigate the effects of inhomogeneous strain distribution, that mimics deformation conditions of tribological tests, on the evolution of defects under severe shear deformation in polycrystalline Al. Analysis of defect nucleation and reaction pathways reveals that strong geometric constraints suppress the nucleation and slide of low energy dislocation 1/2<110>{111} but promote the nucleation and slide of high energy dislocations, such as [1-10](001) and 1/2[1-1-2](1-11). A rough contact surface, characteristic to tribological tests, imposes an inhomogeneous stress field leading to inhomogeneous defect substructures due to location-dependent activation of slip systems. The results suggest that high-energy dislocations can dominate the evolution of grain structures in highly constrained environments, which should be considered in modeling plastic deformation and grain refinement during SPP.

Grain size dependent high-pressure elastic properties of ultrafine micro/nanocrystalline grossular

We have performed sound velocity and unit cell volume measurements of three synthetic, ultrafine micro/nanocrystalline grossular samples up to 50 GPa using Brillouin spectroscopy and synchrotron X-ray diffraction. The samples are characterized by average grain sizes of 90 nm, 93 nm and 179 nm (hereinafter referred to as samples Gr90, Gr93, and Gr179, respectively). The experimentally determined sound velocities and elastic properties of Gr179 sample are comparable with previous measurements, but slightly higher than those of Gr90 and Gr93 under ambient conditions. However, the differences diminish with increasing pressure, and the velocity crossover eventually takes place at approximately 20–30 GPa. The X-ray diffraction peaks of the ultrafine micro/nanocrystalline grossular samples significantly broaden between 15–40 GPa, especially for Gr179. The velocity or elasticity crossover observed at pressures over 30 GPa might be explained by different grain size reduction and/or inhomogeneous strain within the individual grains for the three grossular samples, which is supported by both the pressure-induced peak broadening observed in the X-ray diffraction experiments and transmission electron microscopy observations. The elastic behavior of ultrafine micro/nanocrystalline silicates, in this case, grossular, is both grain size and pressure dependent.

Experimental study of the Portevin-Le Chatelier effect under complex loading of Al-Mg alloy: procedure issues

The aim of this work is to solve the methodological issues of the experimental study of the nucleation and propagation of deformation bands due to the Portevin-Le Chatelier effect under conditions of complex loading. It is of interest to determine the boundaries of unstable plastic deformation of the AMg6 alloy under complex loading conditions. A technique for controlling the loading process with a given rate of deformation intensity of materials has been worked out. The results showed that short-term stops and unloading during loading influence on the value of critical deformation, at which the manifestation of the jerky flow begins. The evolution of inhomogeneous strain fields and local strain rates under conditions of manifestation of jerky flow during tension with torsion tests of Al-Mg alloy samples.

Natural van der Waals heterostructure cylindrite with highly anisotropic optical responses

The mechanical exfoliation of naturally occurring layered materials has emerged as an easy and effective method for achieving ultrathin van der Waals (vdW) heterostructures with well-defined lattice orientations of the constituent two-dimensional (2D) material layers. Cylindrite is one such naturally occurring vdW heterostructure, where the superlattice is composed of alternating stacks of SnS2-like and PbS-like layers. Although the constituent 2D lattices are isotropic, inhomogeneous strain occurring from local atomic alignment for forcing the commensuration makes the cylindrite superlattice structurally anisotropic. Here, we demonstrate the highly anisotropic optical responses of cylindrite thin flakes induced by the anisotropic crystal structure, including angle-resolved polarized Raman scattering, linear dichroism, and polarization-dependent anisotropic third-harmonic generation. Our results provide a promising approach for identifying various natural vdW heterostructure-based 2D materials with tailored optical properties and can be harnessed for realizing anisotropic optical devices for on-chip photonic circuits and optical information processing.

Effect of Extrusion Parameters on Short Fiber Alignment in Fused Filament Fabrication

Additive manufacturing by material extrusion such as the widespread fused filament fabrication is able to improve 3D printed part performance by using short fiber reinforced composite materials. Fiber alignment is critical for the exploitation of their reinforcing effect. This work investigates the influence extrusion parameters have on the fiber alignment by conducting set of experiments on the process parameters determining whether the flow under the nozzle is convergent or divergent. A strong impact of flow conditions during extrusion line shaping on the fiber alignment is observed and two extremes are tested which show a large difference in strength, stiffness and strain at break in tensile testing along the extrusion lines. From highest to lowest fiber alignment, strength is reduced by 41% and stiffness by 54%. Fiber misalignment also leads to inhomogeneous strain fields in the layers when tested perpendicular to the extrusion lines. It is demonstrated that material flow after the nozzle has a high impact on the material properties of short fiber reinforced 3D printed parts and needs to be considered in process design.

Analyses of Substrate-Dependent Broadband Microwave (1–40 GHz) Dielectric Properties of Pulsed Laser Deposited Ba0.5Sr0.5TiO3 Films

Ba0.5Sr0.5TiO3 (BST-0.5) thin films (600 nm) were deposited on single crystal MgO, SrTiO3 (STO), and LaAlO3 (LAO) substrates by pulsed laser deposition at an oxygen partial pressure of 80 mTorr and temperature of 720 °C. X-ray diffraction and in situ reflection high-energy electron diffraction routinely ascertained the epitaxial quality of the (100)-oriented nanocrystalline films. The broadband microwave (1–40 GHz) dielectric properties were measured using coplanar waveguide transmission line test structures. The out-of-plane relative permittivity exhibited strong substrate-dependent dielectric (relaxation) dispersions with their attendant peaks in loss tangent (tanδ), with the former dropping sharply from tens of thousands to ~1000 by 10 GHz. Although homogeneous in-plane strain , enhances with at lower frequencies, two crossover points at 8.6 GHz and 18 GHz eventually change the trend to: . The dispersions are qualitatively interpreted using (a) theoretically calculated (T)- phase diagram for single crystal and single domain BST-0.5 film, (b) theoretically predicted -dependent, anomaly that does not account for frequency dependence, and (c) literature reports on intrinsic and extrinsic microstructural effects, including defects-induced inhomogeneous strain and strain gradients. From the Vendik and Zubko model, the defect parameter metric, , was estimated to be 0.51 at 40 GHz for BST-0.5 film on STO.

Ultrahigh-resolution scanning microwave impedance microscopy of moiré lattices and superstructures

Two-dimensional heterostructures composed of layers with slightly different lattice vectors exhibit new periodic structure known as moiré lattices, which, in turn, can support novel correlated and topological phenomena. Moreover, moiré superstructures can emerge from multiple misaligned moiré lattices or inhomogeneous strain distributions, offering additional degrees of freedom in tailoring electronic structure. High-resolution imaging of the moiré lattices and superstructures is critical for understanding the emerging physics. Here, we report the imaging of moiré lattices and superstructures in graphene-based samples under ambient conditions using an ultrahigh-resolution implementation of scanning microwave impedance microscopy. Although the probe tip has a gross radius of ~100 nm, spatial resolution better than 5 nm is achieved, which allows direct visualization of the structural details in moiré lattices and the composite super-moiré. We also demonstrate artificial synthesis of novel superstructures, including the Kagome moiré arising from the interplay between different layers.

Detection of fatigue crack propagation through damage characteristic FWHM using FBG sensors

Purpose Crack damage detection for aluminum alloy materials using fiber Bragg Grating (FBG) sensor is a kind of structure health monitoring. In this paper, the damage index of full width at half maximum (FWHM) was extracted from the distorted reflection spectra caused by the crack-tip inhomogeneous strain field, so as to explain the crack propagation behaviors. Design/methodology/approach The FWHM variations were also investigated through combining the theoretical calculations with simulation and experimental analyses. The transfer matrix algorithm was developed to explore the mechanism by which FWHM changed with the linear and quadratic strain. Moreover, the crack-tip inhomogeneous strain field on the specimen surface was computed according to the digital image correlation measurement during the experiments. Findings The experimental results demonstrated that the saltation points in FWHM curve accorded with the moments of crack propagation to FBG sensors. Originality/value The interpretation of reflected spectrum deformation mechanism with crack propagation was analyzed based on both simulations and experiments, and then the performance of potential damage features – FWHM were proposed and evaluated. According to the correlation between the damage characteristic and the crack-tip location, the crack-tip of the specimen could be measured rapidly and accurately with this technique.