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• W2891370251 abstract "Forward modeling of diffraction peaks is a potential way to compare the results of theoretical mechanical simulations and experimental X-ray diffraction (XRD) data recorded during in situ experiments. As the input data are the strain or displacement field within a representative volume of the material containing dislocations, a computer-aided efficient and accurate method to generate these fields is necessary. With this aim, a current and promising numerical method is based on the use of the fast Fourier transform (FFT)-based method. However, classic FFT-based methods present some numerical artifacts due to the Gibbs phenomenon or “aliasing” and to “voxelization” effects. Here, we propose several improvements: first, a consistent discrete Green operator to remove “aliasing” effects; and second, a method to minimize the voxelization artifacts generated by dislocation loops inclined with respect to the computational grid. Then, we show the effect of these improvements on theoretical diffraction peaks." @default.
• W2891370251 created "2018-09-27" @default.
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• W2891370251 date "2018-09-09" @default.
• W2891370251 modified "2023-10-18" @default.
• W2891370251 title "The Effect of Crystal Defects on 3D High-Resolution Diffraction Peaks: A FFT-Based Method" @default.
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• W2891370251 doi "https://doi.org/10.3390/ma11091669" @default.
• W2891370251 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/6163892" @default.
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• W2891370251 hasPublicationYear "2018" @default.
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