{"id":"W2056910530","doi":"10.1107/s1600576714005500","title":"On the computation of diffraction peaks from discrete defects in continuous media: comparison of displacement and strain-based methods","year":2014,"lang":"en","type":"article","venue":"Journal of Applied Crystallography","topic":"Microstructure and mechanical properties","field":"Materials Science","cited_by":9,"is_retracted":false,"has_abstract":true,"ca_institutions":"Queen's University","funders":"Agence Nationale de la Recherche","keywords":"Diffraction; Dislocation; Fourier transform; Displacement (psychology); Fourier analysis; Fourier series; Computation; Fast Fourier transform; Materials science; Optics; Mathematical analysis; Crystallography; Physics; Mathematics; Algorithm; Condensed matter physics; Chemistry","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.001035015,0.0005284952,0.0005596405,0.0008079877,0.0003271626,0.0008147136,0.00137657,0.00107707,0.001817672],"category_scores_gemma":[0.003967298,0.0003499613,0.000490707,0.0007912393,0.0007687448,0.001282591,0.0008026146,0.0007958463,0.0004667357],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004959707,"about_ca_system_score_gemma":0.000864278,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002370371,"about_ca_topic_score_gemma":0.001955692,"domain_scores_codex":[0.9997045,0.00007984725,0.00001551971,0.00002424856,0.0001546857,0.00002111277],"domain_scores_gemma":[0.9976949,0.001746367,0.00007919021,0.000167681,0.0002464058,0.00006533751],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0003976801,0.0002205853,0.001494249,0.0004838624,0.00008738201,0.0002225786,0.0003144961,0.6752837,0.02724854,0.07080697,0.0008059026,0.2226341],"study_design_scores_gemma":[0.00001705516,0.00002199228,0.00009850788,0.000008349399,0.000003508468,0.00002852801,0.00001524073,0.993942,0.002136566,0.00320557,0.000514611,0.000007955922],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"methods","genre_gemma":"methods","genre_scores_codex":[0.02696114,0.0004017409,0.9698841,0.00009983541,0.00004205202,0.0000449896,0.00003762472,0.0002812451,0.002247343],"genre_scores_gemma":[0.2361962,0.0005917936,0.7608553,0.00005667352,0.00003893179,0.0001249466,0.0001058943,0.0002363055,0.001793861],"genre_candidate":"methods","genre_consensus":"methods","teacher_disagreement_score":0.002370371,"threshold_uncertainty_score":0.006080747,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01435236284150472,"score_gpt":0.2828006870396682,"score_spread":0.2684483241981634,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}