On the computation of diffraction peaks from discrete defects in continuous media: comparison of displacement and strain-based methods

摘要: This study introduces a numerical tool to generate virtual diffraction peaks from known elastic displacement or strain fields arising in the presence of discrete straight curved dislocations continuous media. The allows for generation according three methods: displacementbased Fourier method Warren, Stokes‐Wilson approximate and new average-strain-based method. trade-off between accuracy demand computational power methods is discussed. work applied cases single-crystal microstructures containing (i) dislocations, (ii) low-angle symmetric tilt grain boundaries, (iii) restrictedly random distribution (iv) complex generated by dislocation dynamics, illustrate differences domains validity aforementioned methods. Dissimilar profiles reveal that peak broadening dislocated crystals has additional contributions coming gradients ‐ feature rejected approximation. problem dealing with multi-valued faced displacement-based overcome