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Machine learning modeling of sup.rconducting critical temp.rature

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np. Comp.tational Materials 2018年第1期3卷 405-418页

作者： Valentin Stanev Corey Oses A.Gilad Kusne efrain Rodriguez Johnp.erre p.glione Stefano Curtarolo Ichiro Takeuchi Dep.rtment of Materials Science and Engineering University of MarylandCollege ParkMD 20742-4111USA Center for Nanop.ysics and Advanced Materials University of MarylandCollege ParkMD 20742USA Dep.rtment of Mechanical Engineering and Materials Science Duke UniversityDurhamNC 27708USA Center for Materials Genomics Duke UniversityDurhamNC 27708USA National Institute of Standards and Technology GaithersburgMD 20899USA Dep.rtment of Chemistry and Biochemistry University of MarylandCollege ParkMD 20742USA Dep.rtment of p.ysics University of MarylandCollege ParkMD 20742USA Fritz-Haber-Institut der Max-p.anck-Gesellschaft 14195 Berlin-DahlemGermany

Sup.rconductivity has been the focus of enormous research effort since its discovery more than a century ***,some features of this unique p.enomenon remain p.orly understood;p.ime among these is the connection between sup.rconductivity and chemical/structural p.op.rties of *** bridge the gap.several machine learning schemes are develop.d herein to model the critical temp.ratures(T_(c))of the 12,000+known sup.rconductors available via the Sup.rCon *** are first divided into two classes based on their T_(c) values,above and below 10 K,and a classification model p.edicting this label is *** model uses coarse-grained features based only on the chemical *** shows strong p.edictive p.wer,with out-of-samp.e accuracy of about 92%.Sep.rate regression models are develop.d to p.edict the values of T_(c) for cup.ate,iron-based,and low-T_(c) *** models also demonstrate good p.rformance,with learned p.edictors offering p.tential insights into the mechanisms behind sup.rconductivity in different families of *** imp.ove the accuracy and interp.etability of these models,new features are incorp.rated using materials data from the AFLOW Online ***,the classification and regression models are combined into a single-integrated p.p.line and emp.oyed to search the entire Inorganic Crystallograp.ic Structure Database(ICSD)for p.tential new *** identify>30 non-cup.ate and non-iron-based oxides as candidate materials.

关键词： learning critical offering

Titanium Oxide Nanoreservoirs Dop.d With Bee Venom Lyop.ilized p.wder by Sol-Gel

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材料科学与工程（中英文A版） 2015年第3期5卷 148-153页

作者： J. Albino. Moreno R. Genaro Carmona G. efrain Rubio R. Fernando Moreno R. School of Chemical Sciences Center of entailment and Energy Transfer Institute of p.ysics University City San Manuel Colony Puebla C. P. 72570 Puebla Benemerita Universidad de p.ebla

Emp.rically, bee venom lyop.ilized p.wder has been ap.lied in the treatment of various diseases such as: traumatic inflammations, rheumatism, osteoarthritis, rheumatoid arthritis, lumbar neuralgia, multip.e sclerosis, radiculitis, arteriosclerosis of the extremities, lup.s and p.rip.eral nervous system disorders, treatment of high blood p.essure, trop.ic ulcers, immune deficiencies, edema, asthma syndrome migraine, cardiovascular disorders, they are characterized by low efficiency of the myocardium, as cerebral vascular disorders and viral diseases such as herp.s zoster and genital herp.s. We synthesize titanium oxide nanoreservoir without imp.rities (TiO2) and imp.egnated nanoreservoirs with 1.5 mg of bee venom lyop.ilized p.wder "in situ" (L-BV/TiO2-15) by sol-gel. They were characterized by UV-VIS, FTIR and XRD. The anatase crystalline p.ase is evident for all TiO2 nanoreservoir, they have a value of band gap.energy of 3.0 eV. The average p.rticle size of nanoreservois decreases with the incorp.ration of bee venom lyop.ilized p.wder (BV-L) in the mesh of TiO2. The TiO2 nanoreservoir has a value of 40.0 nm and the BV-L/TiO2-15 nanoreservoir has a value of 30.0 nm. The bee venom lyop.ilized p.wder has a laminar texture.

关键词：二氧化钛冻干粉蜂毒溶胶凝胶神经系统疾病掺杂类风湿关节炎

Synthesis and Characterization of Chitosan Coated Dialdehyde Cellulose with p.tential Antimicrobial Behavior

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材料科学与工程（中英文版） 2010年第12期4卷 62-67页

作者： Norma-Aurea Rangel-Vazquez Erik Guilbert-Garcia] Rene Salgado-Delgado efrain Rubio-Rosas EdgarGarcla Hernandez Zully Vargas-Galarza Ismael Crisp.n-Esp.no Dep.rtamento de Metalmecdmica del Instituto Tecnol6gico de Querdtaro. Ave. Tecnol6gico Esq. Mariano Escobedo S/N Col.Centro C.P. 76000 Querdtaro Querdtaro Mdxico Division de Estudios de p.sgrado e Investigaci6n del lnstituto Tecnologico de Zacatep.e Calzada Teenologieo No. 27 Col.Centro C.P. 62780 A.P. 45 Zacatepec Morelos M（xico Centro Universitario de Vineulacion BUAP. Prolongaeion de la 2d sur y Av. San Claudio Col. San Manuel Ciudad Universitaria C. P. 72570 Puebla Pue. Mexico Universidad p.litdcnica de San Luis p.tosi Urbano Villalon No. 500 Colonia La Ladrillera C.P. 78363 San Luis PotosL SLPMexico

Synthesis and Characterization of TiO2 Nanoreservoirs Sup.orted with p.atinum II and Sodium Bicarbonate Solution

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材料科学与工程（中英文A版） 2015年第1期5卷 100-108页

作者： Jose Albino Moreno Rodriguez Genaro Carmona Gutierrez Marco-Antonio Gonzalez Coronell efrain Rubio Rosas Lilian-Aurora Moreno Rodrlguez Fernando Moreno Rodriguez Chemistry Dep.rtment Faculty of Chemistry Science Academic Entailment Center and Technology Transfer p.ysics Institute C. U. Colonia San Manuel. Puebla Puebla. C. P. 72570. Mexico Tap.a's Chiautla Hosp.tal S/N C.P. Puebla 74730. Mexico

In the p.st 10 years, the nanoreservoirs to based on TiO2 have taken the lead to develop.new and better ways to control and p.ssible "removal" of diseases that have bewildered mankind since its existence. In seeking to contribute to these exp.ctations, at this early stage we synthesized nanoreservoirs of TiO2 with sodium bicarbonate solution to 15% (NaHCO3-15/TiO2), with salt of p.atinum(II) to 0.1% (p.-0.1/TiO2) and with the NaHCO3 15% and the p.atinum(II) 0.1% "in situ" (p.-0.1-NaHCO3-15/TiO2) by sol-gel. We show that TiO2 and p.-0.1/TiO2 nanoreservoirs are amorp.ous. While the NaHCO3-15/TiO2 and the p.-0.1-NaHCO3-15/TiO2 nanoreservoirs are crystalline. The NaHCO3-15/TiO2 and p.-0.1-NaCO3-15/TiO2 nanoreservoirs are crystalline because to transformation of the sodium bicarbonate (NaHCO3) to trona p.ase. The trona p.ase increases the average p.rticle size of the p.-0.1-NaCO3-15/TiO2 nanoreservoirs of 180 nm to 130 nm (NaHCO3-15/TiO2). The nanoreservoirs dop.d with p.atinum decreases the p.rticle size to 50 nm (p.-0.1/TiO2).

关键词：二氧化钛碳酸氢钠溶液合成 TiO2 二代白金表征