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Predicting the Mechanical Properties of Polyurethane Elastomers Using Machine Learning

Chinese Journal of Polymer Science 2023年第3期41卷 422-431,I0009页

作者： Fang Ding Lun-Yang liu Ting-li liu Yun-Qi li Jun-Peng li Zhao-Yan Sun State Key Laboratory of Polymer Physics and Chemistry Changchun Institute of Applied ChemistryChinese Academy of SciencesChangchun 130022China School of Applied Chemistry and Engineering University of Science and Technology of ChinaHefei 230026China Department of Polymer Materials and Engineering College of Materials and MetallurgyGuizhou UniversityGuiyang 550025China State Key Laboratory of Advanced Technologies for Comprehensive Utilization of Platinum Metals Sino-Platinum Metals Co.Ltd.Ltdunming 650106China

Bridging the gap between the computation of mechanical properties and the chemical structure of elastomers is a long-standing *** fill the gap,we create a raw dataset and build predictive models for Young’s modulus,tensile strength,and elongation at break of polyurethane elastomers(PUEs).We then construct a benchmark dataset with 50.4%samples remained from the raw dataset which suffers from the intrinsic diversity problem,through a newly proposed recursive data elimination *** coefficients of determination(R^(2)s)from predictions are improved from 0.73-0.78 to 0.85-0.91 based on the raw and the benchmark *** fitting of stress-strain curves using the machine learning model shows a slightly better performance than that for one of the well-performed constitutive models(e.g.,the Khiêm-Itskov model).It confirmed that the black-box machine learning models are feasible to bridge the gap between the mechanical properties of PUEs and multiple factors for their chemical structures,composition,processing,and measurement *** accurate prediction for these curves is still a *** release the raw dataset and the most representative benchmark dataset so far to call for more attention to tackle the longstanding gap problem.

关键词： Mechanical properties Stress-strain curves Polyurethane elastomers Machine learning Benchmark dataset

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Metamodel-based Global Optimization Using Fuzzy Clustering for Design Space Reduction

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Chinese Journal of Mechanical Engineering 2013年第5期26卷 928-939页

作者： li Yulin liu li LONG Teng DONG Weili Key Laboratory of Dynamics and Control of Flight Vehicle of Ministry of Education School of Aerospace EngineeringBeijing Institute of Technology

High fidelity analysis are utilized in modern engineering design optimization problems which involve expensive black-box *** computation-intensive engineering design problems,efficient global optimization methods must be developed to relieve the computational burden.A new metamodel-based global optimization method using fuzzy clustering for design space reduction(MGO-FCR) is *** uniformly distributed initial sample points are generated by Latin hypercube design to construct the radial basis function metamodel,whose accuracy is improved with increasing number of sample points *** c-mean method and Gath-Geva clustering method are applied to divide the design space into several small interesting cluster spaces for low and high dimensional problems *** efficiency and accuracy are directly related to the design space,so unconcerned spaces are eliminated by the proposed reduction principle and two pseudo reduction *** reduction principle is developed to determine whether the current design space should be reduced and which space is *** first pseudo reduction algorithm improves the speed of clustering,while the second pseudo reduction algorithm ensures the design space to be *** several numerical benchmark functions,comparative studies with adaptive response surface method,approximated unimodal region elimination method and mode-pursuing sampling are carried *** optimization results reveal that this method captures the real global optimum for all the numerical benchmark *** the number of function evaluations show that the efficiency of this method is favorable especially for high dimensional *** on this global design optimization method,a design optimization of a lifting surface in high speed flow is carried out and this method saves about 10 h compared with genetic *** method possesses favorable performance on efficiency,robustness and capability of global

关键词： global optimization metamodel-based optimization reduction of design space fuzzy clustering

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New multi-pattern matching algorithm

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Journal of Systems Engineering and Electronics 2006年第2期17卷 437-442页

作者： liu Gongshen li Jianhua li Shenghong School of Information Security Engineering Shanghai Jiaotong University Shanghai 200030 P. R. China

The traditional multiple pattern matching algorithm, deterministic finite state automata, is implemented by tree structure. A new algorithm is proposed by substituting sequential binary tree for traditional tree. It is proved by experiment that the algorithm has three features, its construction process is quick, its cost of memory is small. At the same time, its searching process is as quick as the traditional algorithm. The algorithm is suitable for the application which requires preprocessing the patterns dynamically.

关键词： multiple pattern matching finite state automata sequential binary tree.

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QTL Mapping for Wheat Flour Color with Additive,Epistatic,and QTL×Environmental Interaction Effects

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Agricultural Sciences in China 2011年第5期10卷 651-660页

作者： li Wei-hua liu Wei liu li YOU Min-shan liu Guang-tian li Bao-yun Key Laboratory of Oasis Eco-Agriculture of Xinjiang Production and Construction Group Shihezi University Shihezi 832003 P.R. China Key Laboratory of Crop Genomics ＆ Genetic Improvement Ministry of Agriculture/Beijing Key Laboratory of Crop Genetic Improvement China Agricultural University Beijing 100193 P.R. China

To investigate genetic factors affecting wheat flour color traits,a linkage map was constructed using a recombinant inbred line （RIL） population derived from Jing 771×Pm ***,epistatic and QTL×environment （QE） interaction effects of quantitative trait loci （QTLs） controlling wheat flour color were studied by the mixed linear modeling of data collected from wheat RIL plants under three different environmental conditions.13 QTLs with additive effects and 55 pairs of QTLs with epistatic effects were detected for wheat flour color *** additive-additive interactions （AA） involved all of the wheat chromosomes except *** accounted for more of the observed phenotypic variation than did the main effect QTLs （M-QTLs）.Our results suggested that dual-locus interactions are widespread in the wheat genome and play a critical role in determining wheat flour color *** this study,3 QTLs were identified to have QE interaction effects,one of them showing significant QE interaction in E2 environment.

关键词： epistatic effects flour color QTL×environment effects quantitative trait loci Triticum aestivum

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Corrosion behavior of metals or alloys with a solid NaCl deposit in wet oxygen at medium temperature

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Science China(Technological Sciences) 2012年第2期55卷 369-376页

作者： liu li li Ying WANG FuHui Sate Key Laboratory for Corrosion and Protection Institute of Metal ResearchChinese Academy of SciencesShenyang 110016China

The corrosion of metals or alloys under solid NaCl deposit in wet oxygen （water vapor and oxygen） at medium temperature 4013-700℃ causes serious damage and has received considerable attention in recent years. Series of mechanistic studies have revealed synergistic interactions between solid NaCl and water vapor, which accelerates the corrosion process. In addition, the overall corrosion process comprises both chemical reactions （oxidation） and electrochemical reactions and their mutual inter- actions depend on the system of interest. Interestingly, the wet oxygen environment was found to modify the reactions of the element Cr, which plays a useful role in corrosion protection in this special environment.

关键词： synergistic effect NaCl deposit water vapor electrochemical reactions

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A modeling strategy investigation for selective hydrodeoxygenation biomass upgrading of vanillin via metal supported on pyridinic and pyrrolic nitrogen-doped carbon catalysts

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Rare Metals 2024年第12期43卷 6460-6472页

作者： Yi Xiao li liu Wei-Bin Zhang li-li Han State Key Laboratory of Structural Chemistry Fujian Institute of Research on the Structure of MatterChinese Academy of Sciences Laboratory of New Energy and Materials Xinjiang Institute of Engineering Institute of Physics and Electronic Information Yunnan Normal University

To extend the practical application of biomass upgrading conversion to liquid fuel,it is crucial to develop highly catalytic and reversible nonprecious metal ***,we propose a high-throughput density functional theory（DFT） approach to design a high-efficiency catalyst for the selective electrocatalytic upgrading of vanillin via hydrodeoxygenation（HDO）.The optimal pyridinic and pyrrolic nitrogen carbon transition metal（TM）-based monolayers exhibit excellent activity for producing2-methoxy-4-methylphenol（MMP） from *** pyridinic and pyrrolic nitrogen carbon substrates can provide unique sites to support TM atoms,and TM-pyridinic or pyrrolic N moieties serve as catalytic activity sites for the electrocatalytic upgrading of *** DFT calculations suggest that the pyridinic N@TM（TM=Zr,Ru,Rh,Os and Ir） and pyrrolic N@TM（TM=Rh and Os）catalysts possess high activity for MMP synthesized from vanillin,and they have a relatively small limiting potential（UL） of the rate-determining step.A new route reaction path was used to explore the activity of metal nitrogendoped carbon catalysts,finding that a single metal atom through strong electron correlation between metal and N4C8sites can improve the activity of the vanillin HDO *** results show that pyridinic N@Ir and pyrrolic N@Rh with limiting potential（UL） of 0.04 and 0.29 V are the most preferable candidate catalysts for the vanillin HDO *** high stability and relatively low |UL| for vanillin electrocatalytic upgrading are the best candidate *** work proposes new ideas for designing and developing novel catalysts for selective HDO of biomass under real conditions.

关键词： Biomass upgrading Dominant metal environment Pyridinic and pyrrolic nitrogen carbon metal-based catalysts Selective hydrodeoxygenation (HDO) Vanillin

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Readsorption of rare earth elements during leaching process of ion-adsorption-type rare earth ore

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Rare Metals 2023年第6期42卷 2113-2120页

作者： li Wang Chao Wang liu li You-Ming Yang School of Metallurgy and Chemical Engineering Jiangxi University of Science and TechnologyGanzhou341000China

A leaching experiment on simulated rare earth ore pillars with uneven grade distribution was conducted because of the readsorption of rare earth elements in the in situ leaching process of ion-adsorption-type rare earth *** show that the readsorption of rare earth elements in the barren layer is the main reason for the decrease in rare earth concentration in the leachate,decrease in rare earth recovery and extension of the leaching *** limitation could be affected by the concentration of rare earth of the influent flow passing through the barren ore layer,and pH value of leaching agents shows minimal effect during *** magnesium sulfate leaching process requires higher liquid-tosolid ratio than the ammonium sulfate leaching *** former also has lower peak value of rare earth concentration and more significant tailing in the leaching *** readsorption of rare earth elements in the barren layer is more severe in magnesium sulfate leaching than in ammonium sulfate ***,areas without ore belts should be avoided when magnesium sulfate is used for leaching.

关键词： Ion-adsorption-type rare earth ore Readsorption Leaching process Uneven distribution

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On the Waring-Goldbach Problem for Six Cubes and Two Biquadrates

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Chinese Annals of Mathematics,Series B 2018年第6期39卷 1033-1046页

作者： Sanying SHI li liu School of Mathematics Hefei University of Technology

Let Pr denote an almost prime with at most r prime factors, counted according to multiplicity. In the present paper, it is proved that for any sufficiently large even integer n, the equation n=x^3＋p1^3＋p2^3＋p3^3＋p4^3＋p1^3＋p5^3＋p6^3＋p7^3 has solutions in primes pi with x being a P6. This result constitutes a refinement upon that of Hooley C.

关键词： Waring-Goldbach problem Hardy-littlewood method Sieve theory

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An improved multi-objective evolutionary algorithm for computation offloading in the multi-cloudlet environment

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Frontiers of Computer Science 2021年第5期15卷 207-209页

作者： li liu Yuanyuan DU Automation and Electrical Engineering University of Science and Technology BeijingBeijing 100083China Key Laboratory of Knowledge Automation for Industrial Processes of Ministry of Education University of Science and Technology BeijingBeijing 100083China

1 Introduction Mobile cloud computing(MCC)can break the limitations of mobile devices by migrating applications to the Cloud with richer computing and storage resources[1].Consequently,mobile users can obtain better service experience,improved processing power and reliability,expansion of storage capacity and so on[2].We focus on the computational offloading problem in the multi-cloudlet architecture(Fig.1).

关键词： loading service cloud

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A unified viscous-spring artificial boundary for 3-D static and dynamic applications

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Science China(Technological Sciences) 2005年第5期48卷 570-584页

作者： liu Jingbo li Bin Department of Civil Engineering Tsinghua University Beijing 100084 China Department of Civil Engineering Tsinghua University Beijing 100084 China

A method to develop unified artificial boundaries for problems coupling static effect and dynamic effect is proposed. Based on the dynamic viscous-spring artificial boundary and the fundamental solution of static problems in elastic half space, a unified viscous-spring artificial boundary for 3-D static and dynamic applications is established.

关键词： artificial boundary, half space, open system, soil-structure interaction.

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