{"id":"W1981905269","doi":"10.1103/physrevb.74.014207","title":"Surface structure in simple liquid metals: An orbital-free first-principles study","year":2006,"lang":"en","type":"article","venue":"Physical Review B","topic":"nanoparticles nucleation surface interactions","field":"Earth and Planetary Sciences","cited_by":31,"is_retracted":false,"has_abstract":true,"ca_institutions":"Queen's University","funders":"","keywords":"Radial distribution function; Ionic bonding; Molecular dynamics; Scaling; Chemistry; Molecular physics; SPHERES; Coordination number; Ionic liquid; Slab; Valence (chemistry); Hard spheres; Pair distribution function; Transverse plane; Melting point; Phase (matter); Chemical physics; Ion; Computational chemistry; Physics; Geometry","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":[0.0003328866,0.0004760237,0.001229944,0.00065817,0.0008148995,0.0008570889,0.001312084,0.001248144,0.002392549],"category_scores_gemma":[0.0008333264,0.0004721772,0.0007075176,0.0007136189,0.001019171,0.0007505332,0.0005216683,0.0007421923,0.0002111927],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001064779,"about_ca_system_score_gemma":0.0009418475,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01015702,"about_ca_topic_score_gemma":0.007668432,"domain_scores_codex":[0.9998664,0.0000261853,0.000003407112,0.000009704625,0.0000536297,0.0000405944],"domain_scores_gemma":[0.9997098,0.0001343997,0.00002381487,0.00003587245,0.00006495637,0.00003112115],"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":[0.00009594799,0.00008698097,0.001272099,0.0001496349,0.00005528831,0.0002553959,0.0001229262,0.9767298,0.007626572,0.01028434,0.0003417406,0.002979188],"study_design_scores_gemma":[0.00003266337,0.00003375689,0.0003331365,0.000004165795,0.000006532599,0.00001297221,0.00002318987,0.9977593,0.0006556101,0.0009722208,0.0001615458,0.000004811603],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9774947,0.0002751842,0.01484206,0.0002472645,0.00001986397,0.00004721164,0.0001878919,0.0001413585,0.006744503],"genre_scores_gemma":[0.9901518,0.0002535852,0.007848491,0.0000656686,0.0000160442,0.0001035621,0.0002143968,0.00005801631,0.001288397],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01015702,"threshold_uncertainty_score":0.02019578,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03221726325306187,"score_gpt":0.3036244486166095,"score_spread":0.2714071853635476,"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."}}