{"id":"W3022512207","doi":"10.1016/j.commatsci.2020.109773","title":"Molecular dynamics study of the thermodynamic and kinetic properties of the solid-liquid interface in FeMn","year":2020,"lang":"en","type":"article","venue":"Computational Materials Science","topic":"nanoparticles nucleation surface interactions","field":"Earth and Planetary Sciences","cited_by":32,"is_retracted":false,"has_abstract":false,"ca_institutions":"Queen's University; McMaster University","funders":"ExxonMobil Research and Engineering Company","keywords":"Molecular dynamics; Monte Carlo method; Kinetic energy; Thermodynamics; Anisotropy; Atom (system on chip); Function (biology); Phase (matter); Chemical physics; Chemistry; Materials science; Interface (matter); Statistical physics; Capillary action; Physics; Computational chemistry; Classical mechanics","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001844481,0.00005731764,0.00009769038,0.00003062895,0.00008400595,0.00004002127,0.0003620609,0.00001021998,0.00004978165],"category_scores_gemma":[0.0001068426,0.00003289651,0.00001225465,0.0004146706,0.0004577634,0.0001385065,0.00008236413,0.00003953615,0.000003951981],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000009538064,"about_ca_system_score_gemma":0.00009435134,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003946712,"about_ca_topic_score_gemma":0.0002161537,"domain_scores_codex":[0.9991098,0.0001116321,0.0002472517,0.0001468566,0.0002957751,0.00008866644],"domain_scores_gemma":[0.9996257,0.00004136521,0.0001252741,0.0001035977,0.00007816422,0.00002584597],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"observational","study_design_scores_codex":[0.00003349097,0.00002381327,0.01265081,0.00001086779,0.000002275238,1.926991e-7,0.001935838,0.4411946,0.5439836,0.00008007236,3.243846e-7,0.00008405947],"study_design_scores_gemma":[0.0001495275,0.0001370583,0.4907664,0.000035228,0.000004812102,0.000002832688,0.001011418,0.3368666,0.1707961,0.0001826162,5.350769e-7,0.0000468074],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9986793,0.00002235309,0.00009091645,0.0007138674,0.0001632463,0.0002694589,0.000018908,0.000005323038,0.0000365928],"genre_scores_gemma":[0.9998453,4.31358e-7,0.00007405852,0.00007190142,0.000003405059,9.303548e-7,5.042947e-7,0.00000169555,0.000001782573],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.4781156,"threshold_uncertainty_score":0.1686648,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01907907018018052,"score_gpt":0.2416206130112107,"score_spread":0.2225415428310302,"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."}}