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Machine learning assisted discovering of new M_(2)X_(3)-type thermoelectric materials

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Rare Metals 2022年第5期41卷 1543-1553页

作者： Du Chen Feng Jiang Liang Fang yong-bin zhu Cai-Chao Ye Wei-Shu Liu Department of Materials Science and Engineering Southern University of Science and TechnologyShenzhen 518055China Department of Mechanical Engineering The University of Hong KongHong Kong 999077China Department of Physics & Guangdong Provincial Key Laboratory of Computational Science and Material Design Southern University of Science and TechnologyShenzhen 518055China Key Laboratory of Energy Conversion and Storage Technologies(Ministry of Education) Southern University of Science and TechnologyShenzhen 518055China

Recent years have witnessed a continuous discovering of new thermoelectric materials which has experienced a paradigm shift from try-and-error efforts to experience-based discovering and first-principles calculation. However, both the experiment and first-principles calculation deriving routes to determine a new compound are time and resources consuming. Here, we demonstrated a machine learning approach to discover new M_(2)X_(3)-type thermoelectric materials with only the composition information. According to the classic Bi_(2)Te_(3) material, we constructed an M_(2)X_(3)-type thermoelectric material library with 720 compounds by using isoelectronic substitution, in which only 101 compounds have crystalline structure information in the Inorganic Crystal Structure Database(ICSD) and Materials Project(MP) database. A model based on the random forest(RF) algorithm plus Bayesian optimization was used to explore the underlying principles to determine the crystal structures from the known compounds. The physical properties of constituent elements(such as atomic mass, electronegativity, ionic radius) were used to define the feature of the compounds with a general formula ^(1)M^(2)M^(1)X^(2)X^(3)X(^(1)M +^(2)M:^(1)X +^(2)X+^(3)X = 2:3). The primary goal is to find new thermoelectric materials with the same rhombohedral structure as Bi_(2)Te_(3) by machine *** final trained RF model showed a high accuracy of 91% on the prediction of rhombohedral compounds. Finally, we selected four important features to proceed with the polynomial fitting with the prediction results from the RF model and used the acquired polynomial function to make further discoveries outside the pre-defined material library.

关键词： Thermoelectric materials M_(2)X_(3)-type material library Random forest(RF)algorithm Bayesian optimization Machine learning

Management of acquired bronchobiliary fistula:A systematic literature review of 68 cases published in 30 years

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World Journal of Gastroenterology 2011年第33期17卷 3842-3849页

作者： Guan-Qun Liao Hao Wang Guang-yong zhu Kai-bin zhu Fu-Xin Lv Sheng Tai Department of General Surgery the Second Affiliated Hospital of Harbin Medical UniversityHarbin 150086Heilongjiang ProvinceChina

AIM:To outline the appropriate diagnostic methods and therapeutic options for acquired bronchobiliary fistula(BBF).METHODS:Literature searches were performed in Medline,EMBASE,PHMC and LWW(January 1980August 2010)using the following keywords:biliobronchial fistula,bronchobiliary fistula,bronchobiliary fistula,biliarybronchial fistula,tracheobiliary fistula,hepatobronchial fistula,bronchopleural fistula,and *** articles were identified through ***:Sixtyeight cases were collected and *** secondary to tumors(32.3%,22/68),including primary tumors(19.1%,13/68)and hepatic metastases(13.2%,9/68),shared the largest proportion of all *** was found in all patients,and other symptoms were respiratory symptoms,such as irritating cough,fever(36/68)and jaundice(20/68).Half of the patients were treated by lessinvasive methods such as endoscopic retrograde biliary *** approaches like surgery were used less frequently(41.7%,28/67).The outcome was good at the end of the followup period in 28 cases(range,2 wk to 72 mo),and the recovery rate was 87.7%(57/65).CONCLUSION:The clinical diagnosis of BBF can be established by sputum *** assessment of this condition is needed before therapeutic *** approaches should be considered only when noninvasive methods failed.

关键词： Bronchobiliary fistula Digestive endoscopy Endoscopic retrograde cholangiopancreatography Magnetic resonance cholangio Percutaneous transhepatic cholangio Iatrogenic damage Congenital diaphragma defects Hepatobiliary iminodiacetic acid scan

Special Unipotent Representations of Simple Linear Lie Groups of Type A

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Acta Mathematica Sinica,English Series 2024年第3期40卷 707-716页

作者： Dan BARBASCH Jia Jun MA bin yong SUN Chen Bo zhu Department of Mathematics Cornell UniversityIthacaNY 14853USA School of Mathematical Sciences Xiamen UniversityXiamen 361005P.R.China Department of Mathematics Xiamen University Malaysia CampusSepangSelangor Darul Ehsan43900Malaysia Institute for Advanced Study in Mathematics&New Cornerstone Science Laboratory Zhejiang UniversityHangzhou 310058P.R.China Department of Mathematics National University of Singapore10 Lower Kent Ridge RoadSingapore 119076

Let G be a special linear group over the real,the complex or the quaternion,or a special unitary *** this note,we determine all special unipotent representations of G in the sense of Arthur and Barbasch-Vogan,and show... 详细信息

关键词： Special unipotent representations unitary representations coherent continuation Weyl group representations

Comparison of the curative effects of video assisted thoracoscopic anterior correction and small incision, thoracotomic anterior correction for idiopathic thoracic scoliosis

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Chinese Medical Journal 2008年第15期121卷 1369-1373页

作者： QIU yong WANG bin zhu Feng Department of Spine Surgery Drum Tower Hospital of Nanjing University Medical School Nanjing Jiangsu 210008 China

Background The advantages of video assisted thoracoscopic anterior correction for scoliosis are minimal invasion and relatively short-time instrumentation; however the relatively steep learning curve cannot be ignored. Small incision, thoracotomic anterior correction for idiopathic thoracic scoliosis could be another choice because of less demanding technique. We compared the outcomes of these two techniques. Methods Forty-nine patients with idiopathic right thoracic scoliosis were randomly divided into two groups. Group A was 12 girls with mean age 14.9 years, mean Cobb angle 52° and Risser signs ＂＋＋＋＂ to ＂＋＋＋＋＂. Ten patients received video assisted thoracoscopic anterior correction with Eclipse rectification and two with Frontier instrumentation. Group B was 4 boys and 33 girls with mean age 14.1 years, mean Cobb angle of 56° and Risser signs ＂＋＋＂ to ＂＋＋＋＋＂. These patients underwent small incision, thoracotomic anterior instrumentation. The operation time, blood loss, postoperative drainage, instrumented levels, curve correction and early loss of correction of both groups were analyzed. Results Group A had average operation time of （390±82） minutes, intraoperative blood loss of （600±155） ml, instrumented level of 7.4±1.3, postoperative drainage of （500±160） ml, correction rate of （65±16）% and loss of correction during the 18-36 month followup of （8.6±2.9）%. Group B had average operative time of （220±80） minutes, intraoperative blood loss of （320±120） ml, instrumented level of 7.8±0.9, postoperative drainage of （210±90） ml, curve correction rate of （70±12）% and loss of correction during the 18-36-month followup of （4.6±3.9）%. The curve correction rates of the two groups were not statistically significant （P 〉0.05）. However, the operative time, blood loss, postoperative drainage, and early loss of correction showed statistical significance （P 〈0.05）. Conclusion Both video assisted thoracoscopic anterior correction and small incision thoracotomic anterior correction

关键词： minimal invasion thoracoscopy scoliosis correction

Influence of copper minerals on cyanide leaching of gold

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Journal of Central South University of Technology 2001年第1期8卷 24-28页

作者： JIANG Tao,ZHANG Yu zu,YANG yong bin,HUANG zhu cheng (Department of Mineral Engineering, Central South University, Changsha 410083, China) Department of Mineral Engineering Central South University Changsha China

The paper thermodynamically examined the behavior of various copper minerals in cyanide solu tions and investigated the influence of copper minerals on cyanide leaching of gold. In elucidating the influence of copper minerals on cyanide leaching of gold, copper minerals were classified into two types according to their solubility in cyanide solutions by proposing two concepts, cyaniding easily soluble copper (E Cu ) and cyaniding insoluble copper. The former involves copper occurrence in metal, oxides and secondary sulfides, and the latter refers mainly to primary sulfides. Experimental results show that not all the total copper in an ore affected cyanide leaching of gold, while cyaniding easily soluble copper turns out to be the decisive factor that interferes with gold cyanidation by causing decrease in gold cyanidation recovery and increase in cyanide consumption. When cyaniding easily soluble copper content ( w E(Cu) ) lies in the range of 0 0.25%, it linearly affects gold cyanidation recovery ( R ) as well as cyanide consumption ( m c). The regression equations have been worked out to be R (%)=94.177 5-142.735 7 w E(Cu) with a correlation coefficient of -0.902 and m c=5.590 7+33.572 9 w E(Cu) with a correlation coefficient of 0.945, respectively.

关键词： copper mineral gold cyanidation leaching

Controllable chemical redox reactions to couple microbial degradation for organic contaminated sites remediation:A review

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Journal of Environmental Sciences 2024年第5期139卷 428-445页

作者： bin Chen Jiang Xu Lizhong zhu College of Environmental and Resource Sciences Zhejiang UniversityHangzhou 310058China Zhejiang Provincial Key Laboratory of Organic Pollution Process and Control Zhejiang UniversityHangzhou 310058China Zhejiang Agriculture&Forest University Lin'an 311300China

Global environmental concern over organic contaminated sites has been progressively conspicuous during the process of urbanization and industrial *** traditional physical or chemical remediation technologies may significantly destroy the soil structure and function,coupling moderate chemical degradation with microbial remediation becomes a potential way for the green,economic,and efficient remediation of contaminated ***,this work systematically elucidates why and how to couple chemical technology with microbial remediation,mainly focused on the controllable redox reactions of organic *** rational design of materials structure,selective generation of reactive oxygen species,and estimation of degradation pathway are described for chemical ***,current progress on efficient and selective reductions of organic contaminants(i.e.,dechlorination,defluorination,-NO_(2) reduction)is *** with the microbial remediation of contaminated sites,several consideration factors of how to couple chemical and microbial remediation are proposed based on both fundamental and practical points of *** review will advance the understanding and development of chemical-microbial coupled remediation for organic contaminated sites.

关键词： Soil remediation Groundwater remediation Rational design Reactive species Environmental nanotechnology

Designing hierarchical structures for innovative cooling textile

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Nano Research 2024年第10期17卷 9202-9224页

作者： Xiran Du Jinlei Li bin zhu Jia zhu National Laboratory of Solid State Microstructures College of Engineering and Applied SciencesJiangsu Key Laboratory of Artificial Functional MaterialsNanjing UniversityNanjing 210023China School of Sustainable Energy and Resources Nanjing UniversitySuzhou 215163China

The potential of personal cooling technologies in reducing air conditioning energy consumption and enhancing human thermal comfort is *** review focuses on recent advancements in hierarchical structure design for innovative cooling *** with insights into fundamental heat transfer processes between the human body,textile,and the surroundings,we uncover key control *** the advanced hierarchical structure designs enabling effective radiation,sweat evaporation,conduction management,and integration of cold energy sources for realizing effective human body cooling are systematically ***,we explore multifunctional designs beyond cooling,including switchable cooling-heating and ***,we engage in discussions on unifying cooling performance tests and additional multiple requirements to make strides toward practical *** review is anticipated to be a valuable resource,providing the scientific and industrial communities with a quick grasp of past advancements,current challenges,and future directions in achieving effective human body cooling.

关键词： thermal comfort personal cooling textile hierarchical structures

An improved bound on accelerated light dark matter

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Science China(Physics,Mechanics & Astronomy) 2024年第2期67卷 105-118页

作者： Liangliang Su Lei Wu bin zhu Department of Physics and Institute of Theoretical Physics Nanjing Normal UniversityNanjing 210023China School of Physics Yantai UniversityYantai 264005China

Light(sub-GeV)dark matter has gained increasing interest in terms of direct *** dark matter is a promising candidate that can generate detectable nuclear recoil energy within the sub-GeV *** of the large kinetic energy,its interactions with the nucleus are predominantly governed by inelastic scattering,including quasi-elastic and deep inelastic *** this work,we calculated the inelastic effects in dark matter-Earth scattering mediated by a vector *** analysis revealed that the impact of inelastic scattering relies on the mediator mass and the kinetic energy spectrum of dark *** results exhibited considerable disparity:the upper bounds of the exclusion limit for the spin-independent cross-section between accelerated dark matter and nuclei via a heavy mediator differ by several tens of times when inelastic scattering is considered.

关键词： accelerated dark matter inelastic scattering direct detection experiment

Uncovering the electrooxidation behavior of 5-hydroxymethylfurfural on Ni/Co electrodes

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Journal of Energy Chemistry 2024年第5期92卷 1-7页

作者： Shilin Fan bin zhu Xiao Yu Yang Gao Weiping Xie yong Yang Jian Zhang Chunlin Chen Ningbo Institute of Materials Technology&Engineering Chinese Academy of SciencesNingbo 315201ZhejiangChina University of Chinese Academy of Sciences Beijing 100049China

Biomass,derived from plant photosynthesis that captures carbon dioxide to form carbohydrates,offers vast renewable *** electrooxidation of biomass,coupled with the hydrogen evolution reaction,enables the simultaneous production of biomass-based plastic monomers and green hydrogen,attracting significant scholarly ***,ambiguity remains regarding the adsorption mechanism at the catalyst surface(Langmuir-Hinshelwood or Eley-Rideal)and the adsorbed substrate *** address this,we prepared a Ni/Co electrode for the electrooxidation of 5-hydroxymethylfurfural(HMF)into 2,5-furandicarboxylic acid(FDCA)through a corrosion reaction and electro-reduction *** conversion reached 100.00%,FDCA yield reached 96.82%,and Faradic efficiency(FE)reached 92.14%.Meaningfully,utilizing in-situ spectroscopy and electrochemical methods,this work provided valuable insights into active sites and catalyst surface adsorption.

关键词： Electrocatalysis Electrochemistry 2,5-Furandicarboxylicacid 5-Hydroxymethylfurfural Biomass