arXiv subjects

Dayeeta Pal

Publications and source records attributed to Dayeeta Pal.

4 recordsLinked to original sources

arXiv2024

Computing virtual dark-field X-ray microscopy images of complex discrete dislocation structures from large-scale molecular dynamics simulations

Dark-field X-ray Microscopy (DFXM) is a novel diffraction-based imaging technique that non-destructively maps the local deformation from crystalline defects in bulk materials. While studies have demonstrated that DFXM can spatially map 3D defect geometries, it is still challenging to interpret DFXM images of the high dislocation density systems relevant to macroscopic crystal plasticity. This work develops a scalable forward model to calculate virtual DFXM images for complex discrete dislocation (DD) structures obtained from atomistic simulations. Our new DD-DFXM model integrates a non-singular formulation for calculating the local strain from the DD structures and an efficient geometrical optics algorithm for computing the DFXM image from the strain. We apply the model to complex DD structures obtained from a large-scale molecular dynamics (MD) simulation of compressive loading on a single-crystal silicon. Simulated DFXM images exhibit prominent feature contrast for dislocations between the multiple slip systems, demonstrating the DFXM's potential to resolve features from dislocation multiplication. The integrated DD-DFXM model provides a toolbox for DFXM experimental design and image interpretation in the context of bulk crystal plasticity for the breadth of measurements across shock plasticity and the broader materials science community.

cond-mat.mtrl-sci↗

arXiv2024

Measuring the Burgers Vector of Dislocations with Dark-Field X-ray Microscopy

The behavior of dislocations is essential to understand material properties, but their subsurface dynamics that are representative of bulk phenomena cannot be resolved by conventional transmission electron microscopy (TEM). Dark field X-ray microscope (DFXM) was recently demonstrated to image hierarchical structures of bulk dislocations by imaging lattice distortions along the transmitted X-ray diffracted beam using an objective lens. While today's DFXM can effectively map the line vector of dislocations, it still cannot quantify the Burgers vector required to understand dislocation interactions, structures, and energies. Our study formulates a theoretical model of how DFXM images collected along specific scans can be used to directly measure the Burgers vector of a dislocation. By revisiting the "invisibility criteria" from TEM theory, we re-solve this formalism for DFXM and extend it to the geometric-optics model developed for DFXM to evaluate how the images acquired from different scans about a single {hkl} diffraction peak encode the Burgers vector within them. We demonstrate this for edge, screw, and mixed dislocations and discuss the observed symmetries. This work advances our understanding of DFXM to establish its capabilities to connect bulk experiments to dislocation theory and mechanics.

cond-mat.mtrl-sci↗

arXiv2023

Dark-Field X-ray Microscopy for 2D and 3D imaging of Microstructural Dynamics at the European X-ray Free Electron Laser

Dark field X-ray microscopy (DXFM) can visualize microstructural distortions in bulk crystals. Using the femtosecond X-ray pulses generated by X-ray free-electron lasers (XFEL), DFXM can achieve sub-{\mu}m spatial resolution and <100 fs time resolution simultaneously. In this paper, we demonstrate ultrafast DFXM measurements at the European XFEL to visualize an optically-driven longitudinal strain wave propagating through a diamond single crystal. We also present two DFXM scanning modalities that are new to the XFEL sources: spatially 3D and 2D axial-strain scans with sub-{\mu}m spatial resolution. With this progress in XFEL-based DFXM, we discuss new opportunities to study multi-timescale spatio-temporal dynamics of microstructures.

cond-mat.mes-hall↗

arXiv2022

Simultaneous Bright- and Dark-Field X-ray Microscopy at X-ray Free Electron Lasers

The structures, strain fields, and defect distributions in solid materials underlie the mechanical and physical properties across numerous applications. Many modern microstructural microscopy tools characterize crystal grains, domains and defects required to map lattice distortions or deformation, but are limited to studies of the (near) surface. Generally speaking, such tools cannot probe the structural dynamics in a way that is representative of bulk behavior. Synchrotron X-ray diffraction based imaging has long mapped the deeply embedded structural elements, and with enhanced resolution, Dark Field X-ray Microscopy (DFXM) can now map those features with the requisite nm-resolution. However, these techniques still suffer from the required integration times due to limitations from the source and optics. This work extends DFXM to X-ray free electron lasers, showing how the $10^{12}$ photons per pulse available at these sources offer structural characterization down to 100 fs resolution (orders of magnitude faster than current synchrotron images). We introduce the XFEL DFXM setup with simultaneous bright field microscopy to probe density changes within the same volume. This work presents a comprehensive guide to the multi-modal ultrafast high-resolution X-ray microscope that we constructed and tested at two XFELs, and shows initial data demonstrating two timing strategies to study associated reversible or irreversible lattice dynamics.

cond-mat.mtrl-sci↗