{"id":"W2893472338","doi":"10.1016/j.matlet.2018.09.125","title":"Atomistic insights into the enhanced stability and phase change speed of Al–Sb phase change materials","year":2018,"lang":"en","type":"article","venue":"Materials Letters","topic":"Phase-change materials and chalcogenides","field":"Materials Science","cited_by":2,"is_retracted":false,"has_abstract":false,"ca_institutions":"McGill University","funders":"National Natural Science Foundation of China","keywords":"Materials science; Chemical physics; Thermal stability; Phase (matter); Crystallization; Molecular dynamics; Molecular geometry; Work (physics); Bond length; Phase transition; Ab initio; Phase change; Atomic units; Population; Structural stability; Crystallography; Thermodynamics; Computational chemistry; Chemical engineering; Crystal structure; Chemistry; Organic chemistry; Molecule","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":[0.0001567604,0.0002022422,0.0002459546,0.0002994224,0.0004404971,0.0005926936,0.0005920502,0.0005730185,0.004363416],"category_scores_gemma":[0.0004768912,0.0002385431,0.0001744605,0.0001460747,0.0007555708,0.0006448833,0.00029803,0.0005020607,0.0002887457],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008121515,"about_ca_system_score_gemma":0.0003764367,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00119995,"about_ca_topic_score_gemma":0.001765772,"domain_scores_codex":[0.9999343,0.000008486714,0.000001883024,0.000006316349,0.00003216363,0.00001674535],"domain_scores_gemma":[0.9999187,0.00003968039,0.000007132611,0.00001596841,0.0000122977,0.000006243438],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.001140934,0.0003990887,0.003965687,0.0003092435,0.00006827009,0.0005341372,0.0003126642,0.2383975,0.4105176,0.3245188,0.002152484,0.01768359],"study_design_scores_gemma":[0.0001392702,0.0001651241,0.00312038,0.00000887892,0.00002331711,0.0001213638,0.0001352019,0.8884348,0.04515225,0.05945542,0.003214572,0.00002949443],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9528092,0.0005456298,0.01858333,0.0007094867,0.0001120155,0.00003290155,0.0001849935,0.0002054976,0.02681699],"genre_scores_gemma":[0.9971662,0.00009369384,0.002039855,0.00002708711,0.000009480491,0.000009561703,0.00004753446,0.00002275775,0.0005837484],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004363416,"threshold_uncertainty_score":0.01459706,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0676161286568385,"score_gpt":0.3127344831511117,"score_spread":0.2451183544942732,"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."}}