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Description of martensitic transformation kinetics in Fe-C-X(X = Ni,Cr,Mn,Si) system by a modified model

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International Journal of Minerals,Metallurgy and Materials 2024年第5期31卷 1026-1036页

作者： Xiyuan Geng Hongcan Chen Jingjing Wang Yu Zhang Qun Luo Qian Li State Key Laboratory of Advanced Special Steels&Shanghai Key Laboratory of Advanced Ferrometallurgy&School of Materials Science and Engineering Shanghai UniversityShanghai 200444China Ansteel Beijing Research Institute Co. LtdBeijing 102211China National Engineering Research Center for Magnesium Alloys Chongqing UniversityChongqing 400044China College of Materials Science and Engineering Chongqing UniversityChongqing 400044China National Key Laboratory of Advanced Casting Technologies Chongqing UniversityChongqing 400044China

Controlling the content of athermal martensite and retained austenite is important to improving the mechanical properties of high-strength steels,but a mechanism for the accurate description of martensitic transformation during the cooling process must be *** present,frequently used semi-empirical kinetics models suffer from huge errors at the beginning of transformation,and most of them fail to exhibit the sigmoidal shape characteristic of transformation *** describe the martensitic transformation process accurately,based on the Magee model,we introduced the changes in the nucleation activation energy of martensite with temperature,which led to the varying nucleation rates of this model during martensitic *** to the calculation results,the relative error of the modified model for the martensitic transformation kinetics curves of Fe-C-X(X = Ni,Cr,Mn,Si) alloys reached 9.5% compared with those measured via the thermal expansion *** relative error was approximately reduced by two-thirds compared with that of the Magee *** incorporation of nucleation activation energy into the kinetics model contributes to the improvement of its precision.

关键词： Fe-C-X system martensitic transformation kinetics curve semi-empirical model nucleation activation energy

Theoretical kinetic quantitative calculation predicted the expedited polysulfides degradation

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Nano Research 2023年第10期16卷 12035-12042页

作者： Siyu Zhang Xianchao Rong Tao Li Wenjie Ren Hao Ren Linjie Zhi Mingbo Wu Zhongtao Li State Key Laboratory of Heavy Oil Processing College of Chemical EngineeringChina University of Petroleum(East China)Qingdao 266580China National Engineering Center of Coal slurry and Coal Chemical Co. Ltd.LTDJinan 250014China

The performance of lithium-sulfur battery is restricted by the lower value of electrode conductance and the sluggish LiPSs degradation ***,the degradation rate of polysulfides was mostly attributed to the catalytic energy barrier in previous,which is unable to give accurate predictions on the performance of lithium-sulfur ***,a quantitative framework relating the battery performance to catalytic energy barrier and electrical conductivity of the cathode host is developed here to quantitate the *** the model compound,calculated-Ti_(4)O_(7)(c-Ti_(4)O_(7))has the highest comprehensive index with excellent electrical conductivity,although the catalytic energy barrier is not *** inputting the experimental properties such as impedance and charge/discharge data into the as-build model,the final conclusion is still in line with our prediction that Ti_(4)O_(7)host shows the most excellent electrochemical ***,the accurate model here would be attainable to design lithium-sulfur cathode materials with a bottom–up manner.

关键词： lithium-sulfur batteries shuttle effect polysulfide degradation first-principles calculation semi-empirical model

半经验模型指导受体分子结构优化获得效率超过15%的有机太阳能电池

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Science China Materials 2021年第10期64卷 2388-2396页

作者：孟令贤高欢欢吴思敏孙延娜万相见杨扬王剑郭子琦陈红滨李晨曦陈永胜 The Centre of Nanoscale Science and Technology and Key Laboratory of Functional Polymer Materials Institute of Polymer ChemistryState Key Laboratory of Elemento-Organic ChemistryCollege of ChemistryRenewable Energy Conversion and Storage Center(RECAST)Nankai UniversityTianjin 300071China The Institute of Seawater Desalination and Multipurpose Utilization Ministry of Natural Resources(Tianjin)Tianjin 300192China

本工作中,在我们发展的半经验模型的指导下,设计合成了两个A-D-A骨架受体分子,6T-OFIC和5T-OFIC.因其较长的共轭骨架,6T-OFIC的截止吸收波长为946 nm.相比于6T-OFIC,因其骨架少一个噻吩单元,5T-OFIC分子的截止吸收波长为927 nm,更接近... 详细信息

本工作中,在我们发展的半经验模型的指导下,设计合成了两个A-D-A骨架受体分子,6T-OFIC和5T-OFIC.因其较长的共轭骨架,6T-OFIC的截止吸收波长为946 nm.相比于6T-OFIC,因其骨架少一个噻吩单元,5T-OFIC分子的截止吸收波长为927 nm,更接近半经验模型所预测的最佳单结器件的截止吸收波长.最终,基于PM6:5T-OFIC的器件获得了13.43%的能量转换效率,高于PM6:6T-OFIC器件.以F-2Cl作为第三组份,基于PM6:F-2Cl:5TOFIC的三元器件其填充和开压得到了明显的提高,最终获得了15.45%的能量转换效率.

关键词： organic solar cells acceptor-donor-acceptor(A-D-A) semi-empirical model non-fullerene acceptor high efficiency

Experimental measurement and correlation of solubility of β-carotene in pure and ethanol-modified subcritical water

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Chinese Journal of Chemical Engineering 2020年第10期28卷 2620-2625页

作者： Hadi Share Mohammadi Ali Haghighi As Maryam Khajenoori Faculty of Chemical Petroleum and Gas EngineeringSemnan UniversitySemnan 35131-19111Iran

For the first time,the solubility ofβ-carotene in pure and ethanol-modified subcritical water(SW)using the static method was *** experimental runs were performed at a temperature ranging from 298.15 to 403.15 K and 0–10%(w/w)of ethanol as a modifier at a constant pressure of 5 *** were analyzed by UV–vis *** solubility ofβ-carotene was found to range from 1.084×10^-8 to 227.1×10^-8 mol fractions in the subcritical water in above mentioned *** obtainedβ-carotene solubility data were correlated using the linear model and modified Apelblat *** obtained results showed the modified Apelblat model was better for estimating the solubility ofβ-carotene in *** values of the rootmean-square deviation(RMSD)between experimental and correlated data were calculated and used as the index of validity and accuracy for the ***,thermodynamic properties of the solution such as the Gibbs free energy of solution,enthalpy,and entropy of solution were estimated.

关键词： Subcritical water β-Carotene Solubility semi-empirical model

fT=260 GHz andfmax=607 GHz of 100-nm-gate In0.52Al0.48As/In0.7Ga0.3As HEMTs with ***=1441 mS/mm

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Journal of semiconductors 2016年第7期37卷 49-55页

作者：王庆丁芃苏永波丁武昌 Muhammad Asif 唐武金智 State Key Laboratory of Electronic Thin Films and Integrated Devices University of Electronic Science and Technology of ChinaChengdu 610054China Department of Microwave IC Institute of MicroelectronicsChinese Academy of SciencesBeijing 100029China

The 100-nm T-gate InP-based InA1As/InGaAs high electron mobility transistors （HEMTs） with the width of 2×50 μm and source-drain space of 2.4 μm are systematically investigated. High indium （In） composition of InGaAs layer was adopted to acquire the higher mobility of the channel layer. A sandwich structure was adopted to optimize the cap layers and produce a very low contact resistance. The fabricated devices exhibit extrinsic maximum transconductance *** = 1441 mS/mm, cutoff frequency fT = 260 GHz, and maximum oscillation frequency fmax=607 GHz. A semi-empirical model has been developed to precisely fit the low-frequency region of scattering parameters （S parameters） for InP-based HEMTs. Excellent agreement between measured and simulated S parameters demonstrates the validity of this approach.

关键词： high electron mobility transistor InGaAs layer semi-empirical model