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| 1 | Thermo-Calc based multi-component micro-segregation model and solidification paths calculations显示文摘On the basis of a multi-length scale modeling, a mixture-averaged multi-component /multiphase micro-segregation model was proposed without pre-set function for the micro-scale solute profile. The model explains the effect of morphologies of solidifying phases and solid back diffusion (SBD) on segregation, and covers the two limiting solidification cases of Scheil and Lever-rule models. A commercial Thermo-Calc software package/database was linked to the algorithms via its TQ6-interface for instantaneous determination of the related thermodynamic data of the multi-component alloys. The influences of cooling rate and other parameters on the solidification path and micro-segregation behavior were numerically investigated by sample calculation of the ternary Al-Cu-Mg alloys. A parallel experimental investigation on Al-Cu-Si alloys solidified under different cooling conditions was conducted to validate the theoretical model. Reasonable agreements were gained between the predicted solidification paths and the measured results. | Zhao Guangwei Li XinZhong Xu Daming Guo Jingjie Fu Hengzhi Du Yong He Yuehui | 2012 | China Foundry2012，9，3： | 3 |
| 2 | MOLECULAR DYNAMICS SIMULATION OF POLISHING PROCESS BASED ON COUPLING VIBRATIONS OF LIQUID显示文摘分子的动力学方法被使用学习基于联合液体的颤动擦亮的用机器制造的机制。在硅上炮轰的磨料粒子的物理现象单音的水晶表面用 Tersoff 潜力被模仿。颤动参数,粒子尺寸,事件角度和粒子材料的效果被分析并且讨论。材料移动机制被学习。变丑和埋入现象在模拟被发现。轰炸将在影响点附近破坏晶体结构,并且粘附效果为材料的最后的移动负责。 | HUANG Zhigang GUO Zhongning CHENG Xing YU Daming DU Xue LI Rongbing | 2006 | Chinese Journal of Mechanical Engineering2006，19，1： | 2 |
| 3 | Enantioselective Synthesis of N-Phenyl-dihydropyrano[2,3-c]-pyrazoles via Cascade Michael Addition/Thorpe-Ziegler Type Cyclization Catalyzed by a Chiral Squaramide显示文摘Enantioselective synthesis of biologically active dihydropyrano[2,3-c]pyrazoles has been achieved through a squaramide-catalysed Michael addition/Thorpe-Ziegler type cyclization cascade reaction between arylidenepyra-zolones and malononitrile.A series of optically active dihydropyano[2,3-c]pyrazoles were obtained in excellent yields(up to 99%)and moderate to good enantioselectivities(up to 79%ee)under mild reaction conditions. | Junhua Li Daming Du | 2015 | Chinese Journal of Chemistry2015，33，4： | 1 |
| 4 | Synthesis of novel C2-symmetric chiral bis(oxazoline)ligands and their application in the enantioselective addition of diethylzinc to aldehydes显示文摘 | Fu Bin Du Daming Wang Jianbo | 2004 | Tetrahedron:Asymmetry2004，15，1： | 1 |
| 5 | Synthesis of novel chrial bisoxazoline ligands containing 2,5-diaryl-1,3,4-oxadiadole and enantioselective cycloproparation of styrene显示文摘 | Du Daming Wang Zhanyue Xu Dongcheng | 2002 | Synthesis2002，，16： | 1 |
| 6 | Synthesis of novel C2 - symmetric chiral bis(oxazoline) ligands and their application in the enantioselective addition of diethylzinc to aldehydes 显示文摘 | Fu Bin Du Daming Wang Jianbo | 2004 | Tetrahedron: Asymmetry2004，15，1： | 1 |
| 7 | Modification of diphenylamine-linked bis(oxazoline) ligands: Tuning of electronic effect and rigidity of ligand skeleton显示文摘The electronic effect of diphenylamine-linked bis(oxazoline) ligands was tuned through introduction of electron-withdrawing bromo and nitro substituents onto the 4 and 4′ position. The variation of the NH bond acidity was determined by the different chemical shifts of NH. The catalytic activity and enantioselectivity of the modified ligands were tested in the asymmetric Friedel-Crafts alkylation of indole with β-nitrostyrene. The effect of ligand skeleton rigidity was also investigated through the synthesis of iminodibenzyl-linked bis(oxazoline) ligands and evaluation of their catalytic activity in Friedel-Crafts alkylation. | LIU Han LI Wei DU DaMing | 2009 | Science China Chemistry2009，52，9： | 0 |
| 8 | Enantioselective Construction of Functionalized Thiochromans via Squaramide-Catalyzed Asymmetric Cascade Sulfa-Michael/Michael Addition显示文摘An efficient enantioselective cascade sulfa-Michael/Michael addition reaction of trans-3-(2-mercaptophenyl)-2-propenoic acid ethyl ester with nitroalkenes catalyzed by a chiral squaramide catalyst was disclosed.This cascade reaction afforded thiochroman derivatives with three contiguous stereocenters in high yields(up to 94%),excellent diastereoselectivities(up to>25∶1 dr)and enantioselectivities(up to 99% ee). | Yi Yang Daming Du | 2014 | Chinese Journal of Chemistry2014，32，9： | 0 |
| 9 | Unveiling the mechanism of charge compensation in Li_(2)Ru_(x)Mn_(1-x)O_(3)by tracking atomic structural evolution显示文摘The relationship between the structural evolution and redox of Li-rich transition-metal layered oxides(LLOs)cathodes remains ambiguous,obstructing the development of high-performance lithium-ion(Li^(+))battery.Herein,the coherent effects of local atomic and electronic structure in Li_(2)Ru_(x)Mn_(1-x)O_(3)(LRMO)with a wide voltage window(1.3–4.8 V)is identified by in situ X-ray absorption fine spectroscopy(XAFS)and chemometrics.We not only skillfully separated the redox active structures to track the electrochemical path,but also visualized the coupling mechanism between the evolution of Ru-Ru dimer and the(de)excitation of cations and anions.Furthermore,introducing manganese triggers the“heterogeneity”of coordination environment and electronic structure between Ru and Mn after discharge to 3 V.The change of thermodynamic and kinetic paths affects the relithiation,and further leads to the hysteresis of the anion activation structure relaxation of Li_(2)Ru_(0.4)Mn_(0.6)O_(3)relative to Li_(2)RuO_(3)(LRO).Additionally,it is demonstrated that the high charge cut-off voltage restrains the relaxation of anionic active structure in LRO from a new perspective through comparative experiments.Our work associates the evolution of atomic structure with charge compensation and negative electrochemical reactions such as voltage hysteresis(VH)and capacity attenuation,deepening the understanding electrochemical reaction mechanism of LLOs during the first cycle and providing a theoretical support for the further design and synthesis of high-efficiency cathodes. | Ji Li Hongzhou Liu Shun Zheng Yande Li Daming Zhu Fanfei Sun Jingyuan Ma Songqi Gu Panzhe Qiao Shuai Yang Xianlong Du Xiaosong Liu Zhi Liu Bingbao Mei Zheng Jiang | 2022 | Journal of Energy Chemistry2022，，12： | 0 |
| 10 | Recyclable thermally conductive poly(butylene adipate-co-terephthalate)composites prepared via forced infiltration显示文摘With the rapid development of electronic equipment and communication technology,the demand for polymer composites with high thermal conductivity and mechanical properties has increased significantly.However,its nondegradable polymer matrix will inevitably bring more and more serious environmental pollution.Therefore,it is urgent to develop biodegradable thermally conductive polymer composites.In this work,biodegradable poly(butylene adipate-coterephthalate)(PBAT)is used as the matrix material,and vacuum-assisted filtration technology is employed to prepare carbon nanotube(CNT)and cellulose nanocrystal(CNC)networks with high thermal conductivity.Then CNT-CNC/PBAT composites with high thermal conductivity and excellent mechanical properties are prepared by the ultrasonic-assisted forced infiltration method.Both experiment and simulation methods are used to systematically investigate the thermally conductive and dissipation performances of the CNT-CNC/PBAT composites.Above all,a simple alcoholysis reaction is applied to realize the separation of the PBAT matrix and functional fillers without destroying the conductive network skeleton,which makes it possible for the recycling of thermally conductive polymer composites. | Chenglin Li Yi Han Qingyuan Du Daming Wu Jingyao Sun Zhao Wang Liqun Zhang | 2023 | SusMat2023，3，3： | 0 |
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