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Diffraction post-processing of 3D dislocation dynamics simulations for direct comparison with micro-beam Laue experiments

DOI: 10.1016/j.matlet.2012.08.052 DOI Help

Authors: Felix Hofmann (Department of Chemistry, Massachusetts Institute of Technology) , Sinéad Keegan (Northeastern University, USA.) , Alexander M. Korsunsky (Department of Engineering Science, University of Oxford)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Materials Letters , VOL 89 , PAGES 66 - 69

State: Published (Approved)
Published: December 2012
Diamond Proposal Number(s): 701

Abstract: We present a method of computing lattice rotations and elastic strains due to 3D dislocation structures discretised into straight segments. Combined with ray-tracing, it enables virtual scattering experiments where X-ray diffraction patterns that would arise from such dislocation structures are simulated. We demonstrate the diffraction post-processing of a Frank–Read source simulated using the ParaDiS discrete dislocation dynamics code. This simulation is compared to experimental synchrotron X-ray micro-beam Laue diffraction measurements of a single grain within a deformed nickel polycrystal. The simulated pattern captures the experimentally observed anisotropic broadening of Laue reflections and illustrates that heterogeneous and anisotropic lattice (re)orientation effects dominate the peak shape.

Journal Keywords: Dislocation Dynamics Simulation; Laue Diffraction; Diffraction Post Processing

Subject Areas: Materials, Physics, Engineering

Instruments: B16-Test Beamline

Other Facilities: No