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Register a new userCrystal plasticity finite element simulation of lattice rotation and x-ray diffraction during laser shock-compression of Tantalum
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Wehrenberg et. al. [Nature 550 496 (2017)] used ultrafast in situ x-ray diffraction at the LCLS x-ray free-electron laser facility to measure large lattice rotations resulting from slip and deformation twinning in shock-compressed laser-driven [110] fibre textured tantalum polycrystal. We employ a crystal plasticity finite element method model, with slip kinetics based closely on the isotropic dislocation-based Livermore Multiscale Model [Barton et. al., J. Appl. Phys. 109 (2011)], to analyse this experiment. We elucidate the link between the degree of lattice rotation and the kinetics of plasticity, demonstrating that a transition occurs at shock pressures of $sim$27 GPa, between a regime of relatively slow kinetics, resulting in a balanced pattern of slip system activation and therefore relatively small net lattice rotation, and a regime of fast kinetics, due to the onset of nucleation, resulting in a lop-sided pattern of deformation-system activation and therefore large net lattice rotations. We demonstrate a good fit between this model and experimental x-ray diffraction data of lattice rotation, and show that this data is constraining of deformation kinetics.
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As a 3D topological insulator, bismuth selenide (Bi2Se3) has potential applications for electrically and optically controllable magnetic and optoelectronic devices. How the carriers interact with lattice is important to understand the coupling with its topological phase. It is essential to measure with a time scale smaller than picoseconds for initial interaction. Here we use an X-ray free-electron laser to perform time-resolved diffraction to study ultrafast carrier-induced lattice contractions and interlayer modulations in Bi2Se3 thin films. The lattice contraction depends on the carrier concentration and is followed by an interlayer expansion accompanied by oscillations. Using density functional theory (DFT) and the Lifshitz model, the initial contraction can be explained by van der Waals force modulation of the confined free carrier layers. Band inversion, related to a topological phase transition, is modulated by the expansion of the interlayer distance. These results provide insight into instantaneous topological phases on ultrafast timescales.
The high-pressure melting curve of tantalum (Ta) has been the center of a long-standing controversy. Sound velocities along the Hugoniot curve are expected to help in understanding this issue. To that end, we employed a direct-reverse impact technique and velocity interferometry to determine sound velocities of Ta under shock compression in the 10-110 GPa pressure range. The measured longitudinal sound velocities show an obvious kink at ~60 GPa as a function of shock pressure, while the bulk sound velocities show no discontinuity. Such observation could result from a structural transformation associated with a negligible volume change or an electronic topological transition.
The equations for calculating diffraction profiles for bent crystals are revisited for both meridional and sagittal bending. Two approximated methods for computing diffraction profiles are treated: multilamellar and Penning-Polder. A common treatment of crystal anisotropy is included in these models. The formulation presented is implemented into the XOP package, completing and updating the crystal module that simulates diffraction profiles for perfect, mosaic and now distorted crystals by elastic bending.
There is a long standing technological problem in which a stress dwell during cyclic loading at room temperature in Ti causes a significant fatigue life reduction. It is thought that localised time dependent plasticity in soft grains oriented for easy plastic slip leads to load shedding and an increase in stress within a neighbouring hard grain poorly oriented for easy slip. Quantifying this time dependent plasticity process is key to successfully predicting the complex cold dwell fatigue problem. This work uses a novel approach of in situ synchrotron X-ray diffraction during stress relaxation tests, to quantify the time dependent plasticity. Measured lattice strains from multiple lattice families (21 diffraction rings) were compared with simulated lattice strains from crystal plasticity finite element (CPFE) simulations. The prism slip parameters were found to show stronger strain rate sensitivity compared to basal slip, and this has a significant effect on stress redistribution to hard grain orientations during cold creep.
In-situ X-ray diffraction (XRD) and transmission electron microscopy (TEM) have been used to investigate many physical science phenomena, ranging from phase transitions, chemical reaction and crystal growth to grain boundary dynamics. A major limitation of in-situ XRD and TEM is a compromise that has to be made between spatial and temporal resolution. Here, we report the development of in-situ X-ray nanodiffraction to measure atomic-resolution diffraction patterns from single grains with up to 5 millisecond temporal resolution, and make the first real-time observation of grain rotation and lattice deformation during photoinduced chemical reactions. The grain rotation and lattice deformation associated with the chemical reactions are quantified to be as fast as 3.25 rad./sec. and as large as 0.5 Angstroms, respectively. The ability to measure atomic-resolution diffraction patterns from individual grains with several millisecond temporal resolution is expected to find broad applications in materials science, physics, chemistry, and nanoscience.
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