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Dislocation interactions in olivine control postseismic creep of the upper mantle
Changes in stress applied to mantle rocks, such as those imposed by earthquakes, commonly induce a period of transient creep, which is often modelled based on stress transfer among slip systems due to grain interactions. However, recent experiments have demonstrated that the accumulation of stresses among dislocations is the dominant cause of strain hardening in olivine at temperatures ≤600 °C, raising the question of whether the same process contributes to transient creep at higher temperatures. Here, we demonstrate that olivine samples deformed at 25 °C or 1150–1250 °C both preserve stress heterogeneities of ~1 GPa that are imparted by dislocations and have correlation lengths of ~1 μm. The similar stress distributions formed at these different temperatures indicate that accumulation of stresses among dislocations also provides a contribution to transient creep at high temperatures. The results motivate a new generation of models that capture these intragranular processes and may refine predictions of evolving mantle viscosity over the earthquake cycle.
Nucleation of dislocations and their dynamics in layered oxide cathode materials during battery charging
Lithium-rich layered oxides (LRLO) are among the leading candidates for the next-generation cathode material for energy storage, delivering 50% excess capacity over commercially used compounds. Despite excellent prospects, voltage fade has prevented effective use of the excess capacity, and a major challenge has been a lack of understanding of the mechanisms underpinning the voltage fade. Here, using operando three-dimensional Bragg coherent diffractive imaging, we directly observe the nucleation of a mobile dislocation network in LRLO nanoparticles. The dislocations form more readily in LRLO as compared with a classical layered oxide, suggesting a link between the defects and voltage fade. We show microscopically how the formation of partial dislocations contributes to the voltage fade. The insights allow us to design and demonstrate an effective method to recover the original high-voltage functionality. Furthermore, our findings reveal that the voltage fade in LRLO is reversible and call for new paradigms for improved design of oxygen-redox active materials.
Peierls potential of screw dislocations in bcc transition metals: Predictions from density functional theory
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Twinning and Dislocation Evolution during Shock Compression and Release of Single Crystals: Real-Time X-Ray Diffraction
Determining the temporal evolution of twinning and/or dislocation slip, in real time (nanoseconds), in single crystals subjected to plane shock wave loading is a long-standing scientific need. Non-cubic crystals pose special challenges because they have many competing slip and twinning systems. Here, we report on time-resolved, in situ, synchrotron Laue x-ray diffraction measurements during shock compression and release of magnesium single crystals that are subjected to compression along the c-axis. Significant twinning was observed directly during stress release following shock compression; during compression, only dislocation slip was observed. Our measurements unambiguously distinguish between twinning and dislocation slip on nanosecond timescales in a shocked hexagonal-close-packed metal.
Tunable twin stability and an accurate magnesium interatomic potential for dislocation-twin interactions
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Massive Interfacial Reconstruction at Misfit Dislocations in Metal/Oxide Interfaces
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Thermal effects in dislocation theory. II. Shear banding
The thermodynamic dislocation theory presented in previous papers is used in this paper to describe shear-banding instabilities. Central ingredients of the theory are a thermodynamically defined effective configurational temperature and a formula for the plastic strain rate determined by thermally activated depinning of entangled dislocations. This plastic strain rate is extremely sensitive to variations of the stress and the ordinary temperature. As a result of this sensitivity, the system undergoes rapid shear banding instabilities when ordinary thermal relaxation is slow. Finally, it also undergoes rapid changes from elastic to plastic behaviors at yielding transitions.
Critical size for the generation of misfit dislocations and their effects on electronic properties in GaAs nanosheets on Si substrate
While nanowires and nanosheets (NSs) grown on lattice-mismatched substrates have a number of promising technological applications such as solar cells, generation of misfit dislocations (MFDs) at their interfaces is a major concern for the efficiency of these devices. Here, combined molecular-dynamics and quantum-mechanical simulations are used to study MFDs at the interface between a GaAs NS and a Si substrate. Simulation results show the existence of a critical NS thickness, below which NSs are grown free of MFDs. The calculated critical thickness value is consistent with available experimental observations. Charge transfer at the MFD core is found to modify the electronic band profile at the GaAs/Si interface significantly. These effects should have profound impacts on the efficiency of lattice-mismatched NS devices.
Fast, scalable and accurate finite-element based ab initio calculations using mixed precision computing: 46 PFLOPS simulation of a metallic dislocation system
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Dislocation glide suppression for misfit dislocation free heteroepitaxy
An epitaxial structure includes a semiconductor substrate, a dislocation blocking layer; and one or more active layers.
Phase field dislocation dynamics formulation coupled with Fourier based micromechanics solver: Application to grain boundary-dislocation interactions
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Characterization of Threading Dislocations in PVT-Grown AlN Substrates via x-Ray Topography and Ray Tracing Simulation
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In Situ TEM Observation of Dislocation Evolution in Polycrystalline UO2
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Quantification of dislocations densities in zirconium hydride by X-ray line profile analysis
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