{"id":"W2461146300","doi":"10.1016/j.jnucmat.2016.07.009","title":"Density functional theory-based derivation of an interatomic pair potential for helium impurities in nickel","year":2016,"lang":"en","type":"article","venue":"Journal of Nuclear Materials","topic":"Fusion materials and technologies","field":"Materials Science","cited_by":30,"is_retracted":false,"has_abstract":false,"ca_institutions":"Canadian Nuclear Laboratories","funders":"","keywords":"Helium; Nickel; Density functional theory; Helium atom; Diffusion; Atomic physics; Chemistry; Binding energy; Materials science; Chemical physics; Thermodynamics; Computational chemistry; Physics; Metallurgy","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":[0.001444609,0.0007882328,0.001552603,0.001669875,0.002385525,0.001529438,0.003044153,0.002475538,0.003016109],"category_scores_gemma":[0.001750152,0.0006416674,0.001116418,0.0009836471,0.001926525,0.001341164,0.001724347,0.001673125,0.0005938669],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.002168353,"about_ca_system_score_gemma":0.002575647,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01434965,"about_ca_topic_score_gemma":0.02166514,"domain_scores_codex":[0.9994979,0.0001772062,0.00002471935,0.00002196648,0.0001862772,0.00009207242],"domain_scores_gemma":[0.9994599,0.0001840621,0.00002964326,0.00008030194,0.0001656217,0.00008047859],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0001191854,0.0001864892,0.0009212196,0.0002839542,0.0000712407,0.0008129894,0.0002854498,0.267857,0.003380762,0.7154117,0.002983169,0.007686849],"study_design_scores_gemma":[0.0000416241,0.0000196726,0.0005803887,0.0000500713,0.00001422925,0.00007575329,0.0001305792,0.9286287,0.0005302939,0.06852405,0.001373913,0.00003070307],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"methods","genre_scores_codex":[0.4707146,0.005230266,0.299391,0.004072898,0.001344848,0.0007443432,0.0008128987,0.0005575511,0.2171316],"genre_scores_gemma":[0.9429019,0.001051095,0.02974939,0.0007316103,0.0001807962,0.0004001999,0.0003336927,0.000228161,0.0244232],"genre_candidate":"methods","genre_consensus":null,"teacher_disagreement_score":0.01434965,"threshold_uncertainty_score":0.02853221,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01279837191709273,"score_gpt":0.2269109962946981,"score_spread":0.2141126243776054,"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."}}