Highly Efficient Ultrasonic‐Assisted CuCl‐Catalyzed 1,3‐Dipolar Cycloaddition Reactions in Water: Synthesis of Coumarin Derivatives Linked with 1,2,3‐Triazole Moiety

By introducing ultrasound irradiation into “on water” CuCl‐catalyzed 1,3‐dipolar Huisgen cycloaddition, the reaction efficiencies were notably promoted toward a wide variety of applicable azides and alkynes at room temperature, and a series of coumarin derivatives linked with 1,2,3‐triazole moiety were synthesized using the optimized conditions.     

ZrO2在Rh/γ-Al2O3催化剂中对NO催化还原反应的作用

测定了含ＺｒＯ２的Ｒｈ／γ－Ａｌ２Ｏ３催化剂上ＮＯ＋Ｃ２Ｈ４和ＮＯ＋Ｃ２Ｈ４＋Ｏ２的反应活恬性,并应用ＴＰＲ、ＸＲＤ、ＢＥＴ比表面等表征了ＺｒＯ２的加入方式和晶型对Ｒｈ／γ／Ａｌ２Ｏ３催化剂活性和结构的影响。结果表明,ＺｒＯ２的加入一定程度也抑制了Ｒｈ＾３＋与γ－Ａｌ２Ｏ３之间的相互作用和Ａｌ２Ｏ３的相变,提高了催化剂的热稳定性,明显提高了８５０℃老化样品的ＮＯ＋Ｃ２Ｈ４反应活性。对于ＮＯ＋Ｃ２     

可靠性数值模拟的不确定度量化

根据可靠性认证对不确定度量化的技术要求,结合复杂工程系统的层级结构和数值模拟从校准、验证与确认到最终具有预测能力的历程,对可靠性数值模拟不确定度量化的要求和方法进行探索,并结合爆轰算例对这些方法进行演示和验证.     

基于MEMS技术的多媒体空中鼠标

本文采用MEMS加速度传感技术,触控技术以及无线射频的多功能鼠标的电路设计方案,首先系统通过三轴陀螺仪和三轴加速度计的数据进行实时采集,将采集到的数据传送给STM32微控制器,用于计算鼠标的位移、角度、角速度等参数,并利用无线模块将数据发送到接收端,再通过USB协议发送到电脑端。针对现有空中无线鼠标通信距离、电池供电等问题的限制,本文采用通信距离更长的2.4GHZ无线电波,可循环充电利用的锂电池替代传统电池供电,并且利用USB设备通信,在接收端将大容量存储设备与鼠标设备整合复用,可实现二者之间的任意切换,提高了该鼠标系统适应实际应用环境的能力。     

Phase field investigation on sidebranching dynamics in transient growth

A computationally efficient quantitative phase field formulation is used to investigate the sidebranching dynamics under different transient conditions in directional solidification for realistic parameters of a dilute alloy. The sidebranch growths where the pulling speed or temperature gradient increases with constant increasing rates are simulated and discussed by using the noise amplification theory. The results show that in transient growth, the tip shape can rapidly adjust with the instantaneous conditions, and the tip velocity changes continuously due to the change of tip undercooling. Therefore, under our given transient conditions, the sidebranch spacing or sidebranching frequency depends strongly on the transient conditions and transient history, which is different with that in steady‐state conditions where the sidebranching frequency is found to be independent of the temperature gradient and primary spacing, but varies as a power law of pulling speed.     

From bola-amphiphiles to supra-amphiphiles: the transformation from two-dimensional nanosheets into one-dimensional nanofibers with tunable-packing fashion of n-type chromophores

With a rational design of the supra-amphiphiles, we have successfully demonstrated that not only the dimension of the self-assembled nanostructures, but also the packing fashion of the functional naphthalene diimide (a typical n-type chromophore), can be tuned in a noncovalent way in aqueous solution. Naphthalene diimide is incorporated into a bola-amphiphile as the rigid core, whereas viologen derivatives are used as the hydrophilic head. The bola-amphiphile self-assembles into two-dimensional nanosheets, in which naphthalene diimide adopts a "J-type" aggregation. Water-soluble supramolecular complexation between viologen derivatives and the 8-hydroxypyrene-1, 3, 6-trisulfonic acid trisodium salt is used as a driving force for the formation of the supra-amphiphiles. Upon formation of the supra-amphiphiles, the nanosheets transform into ultralong nanofibers with a close packing of naphthalene diimide. Notably, just by mixing the two building blocks of the supra-amphiphiles in aqueous solution, a dimension-controlled evolution of the nanostructures is formed that leads to a different packing fashion of the n-type functional chromophores, which is facile and environmental friendly.     

Synthesis,Photophysical and Electrochemical Properties of Amide‐Linked Phthalocyanine‐Fullerene Dyad

A new amide‐linked phthalocyanine‐fullerene dyad ZnPc‐C₆₀ was synthesized and characterized. The photophysical and electrochemical properties of the ZnPc‐C₆₀ dyad were investigated. The fluorescence spectrum and quantum yield in different solvents showed the occurrence of photoinduced electron transfer (PET) from the singlet excited ZnPc to C₆₀, which was further confirmed by nanosecond transient absorption spectra and cyclic voltammetry data. The free energy change for charge separation (ΔG_CS) was estimated to be exothermic with ?0.51 eV, which favored the formation of charge‐separation state. The PET from ZnPc to C₆₀ in ZnPc‐C₆₀ made the dyad exhibit stronger reverse saturable absorption performance compared with C₆₀ and the control sample in the Z‐scan experiments, which indicated the synergistic effect of two active moieties in the dyad.     

Tautomerization in the formation and collision-induced dissociation of alkali metal cation-cytosine complexes

Noncovalent interactions between alkali metal cations and the various low-energy tautomeric forms of cytosine are investigated both experimentally and theoretically. Threshold collision-induced dissociation (CID) of M(+)(cytosine) complexes with Xe is studied using guided ion beam tandem mass spectrometry, where M(+) = Li(+), Na(+), and K(+). In all cases, the only dissociation pathway observed corresponds to endothermic loss of the intact cytosine molecule. The cross-section thresholds are interpreted to yield 0 and 298 K bond dissociation energies (BDEs) for the M(+)(cytosine) complexes after accounting for the effects of multiple ion-neutral collisions, the kinetic and internal energy distributions of the reactants, and dissociation lifetimes. Ab initio calculations are performed at the MP2(full)/6-31G* level of theory to determine the structures of the neutral cytosine tautomers, the M(+)(cytosine) complexes, and the TSs for unimolecular tautomerization. The molecular parameters derived from these structures are employed for the calculation of the unimolecular rates for tautomerization and the thermochemical analysis of the experimental data. Theoretical BDEs of the various M(+)(cytosine) complexes and the energy barriers for the unimolecular tautomerization of these complexes are determined at MP2(full)/6-311+G(2d,2p) level of theory using the MP2(full)/6-31G* optimized geometries. In addition, BDEs for the Li(+)(cytosine) complexes are also determined at the G3 level of theory. Based upon the tautomeric mixture generated upon thermal vaporization of cytosine, calculated M(+)-cytosine BDEs and barriers to tautomerization for the low-energy tautomeric forms of M(+)(cytosine), and measured thresholds for CID of M(+)(cytosine) complexes, we conclude that tautomerization occurs during both complex formation and CID.     

冲击荷载下C型G550冷弯钢的断裂机理研究

以C型G550薄壁冷弯钢构件为研究对象, 通过材料在不同应变率下的拉伸实验和数值模拟数据得到Johnson-Cook (J-C)本构模型和Johnson-Cook失效模型参数. 通过Abaqus软件模拟了不同冲击荷载作用下C型冷弯钢构件撕裂破坏的全过程, 利用落锤装置轴向冲击试验进行对比, 其实验结果与有限元数值模拟结果有良好的一致性. 此外, 对冲击试样撕裂断口进行微观形貌分析, 得到构件的断裂机理. 结果表明: 随着冲击速度的提高, 冲击力对构件的加载时间增加, 构件需要较大的塑性变形来吸收冲击能量; 冲击速度越高, 裂纹扩展功所占吸收冲击能量的比例越大, 显示出高速下裂纹扩展的能力越好; 冲击速度较高时, 以脆性断裂为主, 断口出现解理面, 甚至在高速变形时发生了绝热剪切破坏.     

Dome效应对四孔大气相干长度仪系统性能的影响

以水平方向距仪器1 000 m的卤钨灯为光源,通过同步对比实验探究了两台四孔大气相干长度仪的系统性能。实验结果表明,由它们测得的大气相干长度的大小和总体变化趋势能够较好吻合,相关性系数均在0.94以上,具有较好的一致性。在此基础上,进一步研究了Dome效应对该系统性能的影响。该效应的影响主要表现在使大气相干长度变小,其强度则由系统沿光路方向移动的距离决定。当移动距离小于15 cm时,Dome效应较弱,不会对实验结果产生明显影响;在距离从15 cm增至55 cm的过程中,其强度不断增加,并在55 cm处达到最强,此后则不再随距离的增加而变化。在整个实验过程中,实验结果的相关系数始终在0.9以上,即Dome效应对大气相干长度的总体变化趋势没有明显影响。