Two new coordination polymers,[Ni(Hpdc)(bib)(H_(2)O)]_(n)(1)and{[Ni(bib)_(3)](ClO_(4))_(2)}_(n)(2),were prepared by mixing Ni^(2+),3,5⁃pyrazoledicarboxylic acid(H3pdc)/p⁃nitrobenzoic acid and 1,4⁃bis(imidazol⁃1⁃ylmeth...Two new coordination polymers,[Ni(Hpdc)(bib)(H_(2)O)]_(n)(1)and{[Ni(bib)_(3)](ClO_(4))_(2)}_(n)(2),were prepared by mixing Ni^(2+),3,5⁃pyrazoledicarboxylic acid(H3pdc)/p⁃nitrobenzoic acid and 1,4⁃bis(imidazol⁃1⁃ylmethyl)butane(bib)by a hydrothermal method,respectively.X⁃ray crystallography reveals a 2D network constructed by six⁃coordinated Ni(Ⅱ)centers,bib,and Hpdc2-ligands in complex 1,while a 2D network is built by Ni(Ⅱ)and bib ligands in 2.Furthermore,the quantum⁃chemical calculations have been performed on‘molecular fragments’extracted from the crystal structure of 1 using the PBE0/LANL2DZ method in Gaussian 16 and the VASP program.CCDC:2343794,1;2343798,2.展开更多
Mg-6Al-0.3Mn-xY(x=0,0.3,0.6 and 0.9,mass fraction,%) magnesium alloys were prepared by casting and hot rolling process.The influence of yttrium on microstructure and tensile mechanical properties of the AM60 magnesium...Mg-6Al-0.3Mn-xY(x=0,0.3,0.6 and 0.9,mass fraction,%) magnesium alloys were prepared by casting and hot rolling process.The influence of yttrium on microstructure and tensile mechanical properties of the AM60 magnesium alloy was investigated.The results reveal that with increasing the yttrium content,Al2Y precipitates form and the grain size is reduced.The ultimate strength,yield strength and elongation at room temperature are 192 MPa,62 MPa and 12.6%,respectively,for the as-cast Mg-6Al-0.3Mn-0.9Y alloy.All these properties are improved obviously by hot rolling,and the values are up to 303 MPa,255 MPa and 17.1%,respectively,for the rolled Mg-6Al-0.3Mn-0.9Y alloy.The improvement of mechanical properties is attributed to continuous dynamic recrystallization and the existence of highly thermal stable Al2Y precipitate which impedes the movement of dislocation effectively.展开更多
Quantitative trait loci (QTL) analysis was conducted in bread wheat for 14 important traits utilizing data from four different mapping populations involving different approaches of QTL analysis. Analysis for grain pro...Quantitative trait loci (QTL) analysis was conducted in bread wheat for 14 important traits utilizing data from four different mapping populations involving different approaches of QTL analysis. Analysis for grain protein content (GPC) sug- gested that the major part of genetic variation for this trait is due to environmental interactions. In contrast, pre-harvest sprouting tolerance (PHST) was controlled mainly by main effect QTL (M-QTL) with very little genetic variation due to environmental interactions; a major QTL for PHST was detected on chromosome arm 3AL. For grain weight, one QTL each was detected on chromosome arms 1AS, 2BS and 7AS. QTL for 4 growth related traits taken together detected by different methods ranged from 37 to 40; nine QTL that were detected by single-locus as well as two-locus analyses were all M-QTL. Similarly, single-locus and two-locus QTL analyses for seven yield and yield contributing traits in two populations respectively allowed detection of 25 and 50 QTL by composite interval mapping (CIM), 16 and 25 QTL by multiple-trait composite interval mapping (MCIM) and 38 and 37 QTL by two-locus analyses. These studies should prove useful in QTL cloning and wheat improvement through marker aided selection.展开更多
Microstructural evolution of a cold-rolled Al-Mn-Fe-Si alloy during annealing was studied. Except the as-cast variant, two other different homogenizations were considered, one gave a high density of fine dispersiods p...Microstructural evolution of a cold-rolled Al-Mn-Fe-Si alloy during annealing was studied. Except the as-cast variant, two other different homogenizations were considered, one gave a high density of fine dispersiods providing a considerable Zener drag influencing the softening behavior while the other gave a lower density of coarser dispersoid structure providing a much smaller drag effect. The gradual microstructural evolutions during annealing for the three variants were captured by interrupting annealing at different time. Effects of microchemistry state on recrystallization kinetics, recrystallized grain structure and texture were characterized by EBSD. It is demonstrated that the actual softening kinetics, final microstructure and texture are a result of delicate balance between processing condition and microchemistry state. Strong concurrent precipitation takes place in the case with high concentration of Mn in solid solution, which suppresses nucleation and retards recrystallization and finally leads to grain structure of coarse elongated grains dominated by a P texture component together with a ND-rotated cube component. On the contrary, when solute content of Mn is low and pre-existing dispersoids are relatively coarser, faster recrystallization kinetics is exhibited together with an equiaxed grain structure with mainly cube texture.展开更多
The effect of cold rolling reduction(50%-90%)on the grain structures of solutionized 1445 Al-Li alloy sheet at525-575 ℃ was investigated through electron backscatter diffraction(EBSD).Although the solutionization tem...The effect of cold rolling reduction(50%-90%)on the grain structures of solutionized 1445 Al-Li alloy sheet at525-575 ℃ was investigated through electron backscatter diffraction(EBSD).Although the solutionization temperature is elevated to 575 ℃,the sheet is not completely recrystallized.The main recrystallization model is subgrain coalescence and growth,and the non-recrystallization is due to the formed nano-sized Al3(Sc,Zr)dispersoids,which pin the grain boundaries,subgrain boundaries and dislocations.With increasing the cold rolling reduction,the fraction and size of the recrystallized grains in the sheet solutionized at525 ℃ are decreased,but the fraction of the subgrains is increased,leading to a decrease in the fraction of the deformed structures.Meanwhile,the number fraction of high-angle boundaries(HABs)is increased.Due to the decreased fraction of the deformed structures and increased fraction of the HABs,the T8-aged 1445 Al-Li alloy sheet displays a decrease trend in the strength and heterogeneity with increasing the cold rolling reduction.At higher solutionization temperature of 575 ℃,the fraction of the recrystallized grains and their size are obviously increased.展开更多
Rifapentine, an important antibiotic, was crystallized from methanol solvent in the form of its methanol solvate. The crystal structure of rifapentine methanol solvate belongs to monoclinic, space group P21, with the ...Rifapentine, an important antibiotic, was crystallized from methanol solvent in the form of its methanol solvate. The crystal structure of rifapentine methanol solvate belongs to monoclinic, space group P21, with the unit cell parameters of a = 1.2278（3） nm, b = 1.9768（4） rim, c = 1.2473（3） nm, Z= 2, and β = 112.35（3）. The parallelepiped.morphology was also predicted by Materials Studio simulation program.. The influence of intermolecular in-teraction was taken into account in the attachment energy model. The crystal shape fits the calculated morphology well, which was performed on the potential energy minimized model using a generic DREIDING 2.21 force fieldand developed minimization protocol with derived＇partial charges.展开更多
Dynamic pressure was applied on emulsion explosive by using an underwater explosion measuring apparatus, and the crystallization quantity was measured by dissolution method after emulsion explosive was pressed; the in...Dynamic pressure was applied on emulsion explosive by using an underwater explosion measuring apparatus, and the crystallization quantity was measured by dissolution method after emulsion explosive was pressed; the influence of emulsi- fier content and type was analyzed. The experimental results show that emulsifier content and type have an important effect on crystallization quantity of emulsion explosive. The crystallization quantity will reduce with Span-g0 content from 2% to 4%, so the demulsification and crystallization will decrease if the emulsifier content improves appropriately and the dynamic pressure resistance will increase. For emulsion explosive emulsified by T-152 and Span-g0, the crystallization quantity with T-152 is less than that of Span-g0 under the same dynamic pressure. This shows that the emulsifying effect ofT-152 is better than Soan-80.展开更多
The appearance of turbidity due to large numbers of critical size hydrate nuclei may significantly affect the outgoing light intensity and the flow resistance in the pipe loop. The induction period of hydrate formatio...The appearance of turbidity due to large numbers of critical size hydrate nuclei may significantly affect the outgoing light intensity and the flow resistance in the pipe loop. The induction period of hydrate formation was determined by analyzing the experimental data——either based on the shading ratio data of laser detector or based on the pressure drop data of the flow system. The induction period of CC12F2 (R12) in pure water and that of CH4 in (tetrahydrofuran ＋ water) systems were then measured with the above two methods. Experimental data show that the induction period depends on the driving force exponentially. Flow rate also has a significant influence on the hydrate nucleation. A new induction period model taking the driving force and liquid flow rate into account was proposed. And it is successfully applied to the calculation of the induction period, which is in good agreement with the experimental data obtained in this study.展开更多
The quality of perovskite layers has a great impact on the performance of perovskite solar cells(PSCs).However,defects and related trap sites are generated inevitably in the solutionprocessed polycrystalline perovskit...The quality of perovskite layers has a great impact on the performance of perovskite solar cells(PSCs).However,defects and related trap sites are generated inevitably in the solutionprocessed polycrystalline perovskite films.It is meaningful to reduce and passivate the defect states by incorporating additive into the perovskite layer to improve perovskite crystallization.Here an environmental friendly 2D nanomaterial protonated graphitic carbon nitride(p-g-C_(3)N_(4))was successfully synthesized and doped into perovskite layer of carbon-based PSCs.The addition of p-g-C_(3)N_(4)into perovskite precursor solution not only adjusts nucleation and growth rate of methylammonium lead tri-iodide(MAPb I3)crystal for obtaining flat perovskite surface with larger grain size,but also reduces intrinsic defects of perovskite layer.It is found that thep-g-C_(3)N_(4) locates at the perovskite core,and the active groups-NH_(2)/NH_(3)and NH have a hydrogen bond strengthening,which effectively passivates electron traps and enhances the crystal quality of perovskite.As a result,a higher power conversion efficiency of 6.61% is achieved,compared with that doped with g-C_(3)N_(4)(5.93%)and undoped one(4.48%).This work demonstrates a simple method to modify the perovskite film by doping new modified additives and develops a low-cost preparation for carbon-based PSCs.展开更多
Poly （ butylene succinate ） （ PBS ）, poly （ butylene terephthalate） （PBT） and poly （butylene succirmte-coterephthalate） （PBST）s were synthesized from dimethyl succinate and/or dimethyl terephthalate reacti...Poly （ butylene succinate ） （ PBS ）, poly （ butylene terephthalate） （PBT） and poly （butylene succirmte-coterephthalate） （PBST）s were synthesized from dimethyl succinate and/or dimethyl terephthalate reacting with 1,4- butanediol through a process of transesterification/ polycondmsation in the presence of a high effective catalyst and characterized by means of GPC and DSC. The investigation was mainly focused on the influence of content of terephthalate units on the molecular weight and thermal properties of resulting polymers. It is revealed that the melting temperature and crystallinity of synthesized polymers decrease first with the increase of terephthalate units, then shift to rise gradually by DSC measurements. The results of Flory equation suggest sequence structure of PBSTs is random.展开更多
文摘Two new coordination polymers,[Ni(Hpdc)(bib)(H_(2)O)]_(n)(1)and{[Ni(bib)_(3)](ClO_(4))_(2)}_(n)(2),were prepared by mixing Ni^(2+),3,5⁃pyrazoledicarboxylic acid(H3pdc)/p⁃nitrobenzoic acid and 1,4⁃bis(imidazol⁃1⁃ylmethyl)butane(bib)by a hydrothermal method,respectively.X⁃ray crystallography reveals a 2D network constructed by six⁃coordinated Ni(Ⅱ)centers,bib,and Hpdc2-ligands in complex 1,while a 2D network is built by Ni(Ⅱ)and bib ligands in 2.Furthermore,the quantum⁃chemical calculations have been performed on‘molecular fragments’extracted from the crystal structure of 1 using the PBE0/LANL2DZ method in Gaussian 16 and the VASP program.CCDC:2343794,1;2343798,2.
基金Projects(2006BA104B04-1,2006BAE04B07-3) supported by the National Science and Technology Supporting Program of ChinaProject (2007KZ05) supported by the Science and Technology Supporting Program of Changchun City, ChinaProject supported by "985 Program" of Jilin University,China
文摘Mg-6Al-0.3Mn-xY(x=0,0.3,0.6 and 0.9,mass fraction,%) magnesium alloys were prepared by casting and hot rolling process.The influence of yttrium on microstructure and tensile mechanical properties of the AM60 magnesium alloy was investigated.The results reveal that with increasing the yttrium content,Al2Y precipitates form and the grain size is reduced.The ultimate strength,yield strength and elongation at room temperature are 192 MPa,62 MPa and 12.6%,respectively,for the as-cast Mg-6Al-0.3Mn-0.9Y alloy.All these properties are improved obviously by hot rolling,and the values are up to 303 MPa,255 MPa and 17.1%,respectively,for the rolled Mg-6Al-0.3Mn-0.9Y alloy.The improvement of mechanical properties is attributed to continuous dynamic recrystallization and the existence of highly thermal stable Al2Y precipitate which impedes the movement of dislocation effectively.
基金Project supported by the National Agricultural Technology Projectof Indian Council of Agricultural Research, Department of Biotech-nology of Government of India, Council of Scientific and IndustrialResearch of India and Indian National Science Academy
文摘Quantitative trait loci (QTL) analysis was conducted in bread wheat for 14 important traits utilizing data from four different mapping populations involving different approaches of QTL analysis. Analysis for grain protein content (GPC) sug- gested that the major part of genetic variation for this trait is due to environmental interactions. In contrast, pre-harvest sprouting tolerance (PHST) was controlled mainly by main effect QTL (M-QTL) with very little genetic variation due to environmental interactions; a major QTL for PHST was detected on chromosome arm 3AL. For grain weight, one QTL each was detected on chromosome arms 1AS, 2BS and 7AS. QTL for 4 growth related traits taken together detected by different methods ranged from 37 to 40; nine QTL that were detected by single-locus as well as two-locus analyses were all M-QTL. Similarly, single-locus and two-locus QTL analyses for seven yield and yield contributing traits in two populations respectively allowed detection of 25 and 50 QTL by composite interval mapping (CIM), 16 and 25 QTL by multiple-trait composite interval mapping (MCIM) and 38 and 37 QTL by two-locus analyses. These studies should prove useful in QTL cloning and wheat improvement through marker aided selection.
基金supported by the KMB project (193179/I40) in NorwayThe financial support by the Research Council of Norway and the industrialpartners, Hydro Aluminium and Sapa Technology
文摘Microstructural evolution of a cold-rolled Al-Mn-Fe-Si alloy during annealing was studied. Except the as-cast variant, two other different homogenizations were considered, one gave a high density of fine dispersiods providing a considerable Zener drag influencing the softening behavior while the other gave a lower density of coarser dispersoid structure providing a much smaller drag effect. The gradual microstructural evolutions during annealing for the three variants were captured by interrupting annealing at different time. Effects of microchemistry state on recrystallization kinetics, recrystallized grain structure and texture were characterized by EBSD. It is demonstrated that the actual softening kinetics, final microstructure and texture are a result of delicate balance between processing condition and microchemistry state. Strong concurrent precipitation takes place in the case with high concentration of Mn in solid solution, which suppresses nucleation and retards recrystallization and finally leads to grain structure of coarse elongated grains dominated by a P texture component together with a ND-rotated cube component. On the contrary, when solute content of Mn is low and pre-existing dispersoids are relatively coarser, faster recrystallization kinetics is exhibited together with an equiaxed grain structure with mainly cube texture.
文摘The effect of cold rolling reduction(50%-90%)on the grain structures of solutionized 1445 Al-Li alloy sheet at525-575 ℃ was investigated through electron backscatter diffraction(EBSD).Although the solutionization temperature is elevated to 575 ℃,the sheet is not completely recrystallized.The main recrystallization model is subgrain coalescence and growth,and the non-recrystallization is due to the formed nano-sized Al3(Sc,Zr)dispersoids,which pin the grain boundaries,subgrain boundaries and dislocations.With increasing the cold rolling reduction,the fraction and size of the recrystallized grains in the sheet solutionized at525 ℃ are decreased,but the fraction of the subgrains is increased,leading to a decrease in the fraction of the deformed structures.Meanwhile,the number fraction of high-angle boundaries(HABs)is increased.Due to the decreased fraction of the deformed structures and increased fraction of the HABs,the T8-aged 1445 Al-Li alloy sheet displays a decrease trend in the strength and heterogeneity with increasing the cold rolling reduction.At higher solutionization temperature of 575 ℃,the fraction of the recrystallized grains and their size are obviously increased.
基金Supported by Open Fund of Mineral Resources Chemistry Key Laboratory of Scihuan Higher Education Institutions
文摘Rifapentine, an important antibiotic, was crystallized from methanol solvent in the form of its methanol solvate. The crystal structure of rifapentine methanol solvate belongs to monoclinic, space group P21, with the unit cell parameters of a = 1.2278（3） nm, b = 1.9768（4） rim, c = 1.2473（3） nm, Z= 2, and β = 112.35（3）. The parallelepiped.morphology was also predicted by Materials Studio simulation program.. The influence of intermolecular in-teraction was taken into account in the attachment energy model. The crystal shape fits the calculated morphology well, which was performed on the potential energy minimized model using a generic DREIDING 2.21 force fieldand developed minimization protocol with derived＇partial charges.
基金Supported by the National Natural Science Foundation of China （50574004）
文摘Dynamic pressure was applied on emulsion explosive by using an underwater explosion measuring apparatus, and the crystallization quantity was measured by dissolution method after emulsion explosive was pressed; the influence of emulsi- fier content and type was analyzed. The experimental results show that emulsifier content and type have an important effect on crystallization quantity of emulsion explosive. The crystallization quantity will reduce with Span-g0 content from 2% to 4%, so the demulsification and crystallization will decrease if the emulsifier content improves appropriately and the dynamic pressure resistance will increase. For emulsion explosive emulsified by T-152 and Span-g0, the crystallization quantity with T-152 is less than that of Span-g0 under the same dynamic pressure. This shows that the emulsifying effect ofT-152 is better than Soan-80.
基金the National 973 Program of China (No. 2001CB209107) the National 863 Project of China (No. 2002AA615120) Huo Yingdong Education Foundation.
文摘The appearance of turbidity due to large numbers of critical size hydrate nuclei may significantly affect the outgoing light intensity and the flow resistance in the pipe loop. The induction period of hydrate formation was determined by analyzing the experimental data——either based on the shading ratio data of laser detector or based on the pressure drop data of the flow system. The induction period of CC12F2 (R12) in pure water and that of CH4 in (tetrahydrofuran ＋ water) systems were then measured with the above two methods. Experimental data show that the induction period depends on the driving force exponentially. Flow rate also has a significant influence on the hydrate nucleation. A new induction period model taking the driving force and liquid flow rate into account was proposed. And it is successfully applied to the calculation of the induction period, which is in good agreement with the experimental data obtained in this study.
基金supported by the Natural Science Foundation of Liaoning Province(No.20170540086)the Open Fund of the State Key Laboratory of Molecular Reaction Dynamics in Dalian Institute of Chemical Physics,Chinese Academy of Sciences(SKLMRD-K202107,K202216)。
文摘The quality of perovskite layers has a great impact on the performance of perovskite solar cells(PSCs).However,defects and related trap sites are generated inevitably in the solutionprocessed polycrystalline perovskite films.It is meaningful to reduce and passivate the defect states by incorporating additive into the perovskite layer to improve perovskite crystallization.Here an environmental friendly 2D nanomaterial protonated graphitic carbon nitride(p-g-C_(3)N_(4))was successfully synthesized and doped into perovskite layer of carbon-based PSCs.The addition of p-g-C_(3)N_(4)into perovskite precursor solution not only adjusts nucleation and growth rate of methylammonium lead tri-iodide(MAPb I3)crystal for obtaining flat perovskite surface with larger grain size,but also reduces intrinsic defects of perovskite layer.It is found that thep-g-C_(3)N_(4) locates at the perovskite core,and the active groups-NH_(2)/NH_(3)and NH have a hydrogen bond strengthening,which effectively passivates electron traps and enhances the crystal quality of perovskite.As a result,a higher power conversion efficiency of 6.61% is achieved,compared with that doped with g-C_(3)N_(4)(5.93%)and undoped one(4.48%).This work demonstrates a simple method to modify the perovskite film by doping new modified additives and develops a low-cost preparation for carbon-based PSCs.
基金Supported by Shanghai Municipal Science and Technology Development Fund (No.045211052)
文摘Poly （ butylene succinate ） （ PBS ）, poly （ butylene terephthalate） （PBT） and poly （butylene succirmte-coterephthalate） （PBST）s were synthesized from dimethyl succinate and/or dimethyl terephthalate reacting with 1,4- butanediol through a process of transesterification/ polycondmsation in the presence of a high effective catalyst and characterized by means of GPC and DSC. The investigation was mainly focused on the influence of content of terephthalate units on the molecular weight and thermal properties of resulting polymers. It is revealed that the melting temperature and crystallinity of synthesized polymers decrease first with the increase of terephthalate units, then shift to rise gradually by DSC measurements. The results of Flory equation suggest sequence structure of PBSTs is random.
