Face-centred cubic to body-centred cubic phase transformation under [1 0 0] tensile loading

Molecular dynamics simulation was used to verify a speculation of the existence of a certain face-centred cubic (FCC) to body-centred cubic (BCC) phase transformation pathway. Four FCC metals, Ni, Cu, Au and Ag, were stretched along the [1?0?0] direction at various strain rates and temperatures. Under high strain rate and low temperature, and beyond the elastic limit, the bifurcation of the FCC phase occurred with sudden contraction along one lateral direction and expansion along the other lateral direction. When the lattice constant along the expansion direction converged with that of the stretched direction, the FCC phase transformed into an unstressed BCC phase. By reducing the strain rate or increasing the temperature, dislocation or ‘momentum-induced melting’ mechanisms began to control the plastic deformation of the FCC metals, respectively.     

Hydrosilylation Catalyzed with Rh(PPh3)3Cl/Ionic-Liquid–Functionalized SiO2

Ionic liquid–modified silica has been prepared by a “one-pot” reaction of activated silica, 3-chloropropyltriethoxysilane, and alkylimidazole or pyridine. It was found that the catalytic activity and β-adduct selectivity of the supported catalyst Rh(PPh₃)₃Cl/ionic-liquid–modified-SiO₂ for the hydrosilylation reaction of alkenes with triethoxysilane was significantly improved. Furthermore, the catalyst system could be recovered easily.     

电子束辐照烟气脱硫脱氮反应器中的剂量分布的模拟计算

采用Monte-Carlo程序EGSnrcMP对能量为0.8MeV的电子束辐照烟气脱硫脱硝反应器中的剂量分布进行了模拟计算,将计算的结果运用MATLAB数学分析软件进行了数据处理,对能量为0.5MeV的电子束辐照烟气脱硫脱硝反应器中的剂量分布进行了模拟计算,并与文献中实验测量值进行了比较。结果表明:采用EGSnrcMP程序计算所得到的剂量与实验结果吻合。     

Enzymetically Regulating the Self‐Healing of Protein Hydrogels with High Healing Efficiency

Enzyme‐mediated self‐healing of dynamic covalent bond‐driven protein hydrogels was realized by the synergy of two enzymes, glucose oxidase (GOX) and catalase (CAT). The reversible covalent attachment of glutaraldehyde to lysine residues of GOX, CAT, and bovine serum albumin (BSA) led to the formation and functionalization of the self‐healing protein hydrogel system. The enzyme‐mediated protein hydrogels exhibit excellent self‐healing properties with 100 % recovery. The self‐healing process was reversible and effective with an external glucose stimulus at room temperature.     

临界装置实验大厅散射中子分布研究

采用蒙特卡罗方法,通过MCNP5程序对实验大厅内不同散射体产生的散射贡献及散射中子分布进行了计算。结果表明,散射中子强度随离开临界中子源距离先呈减小趋势,在接近大厅墙壁处则出现增加,呈现明显的W形状。同时设计并验证了模拟结果的正确性,结果表明模拟计算与实验测量结果的趋势相同,证明了计算结果的可靠性。     

Bulk heterojunction solar cells using thieno[3,4-c]pyrrole-4,6-dione and dithieno[3,2-b:2',3'-d]silole copolymer with a power conversion efficiency of 7.3%

A new alternating copolymer of dithienosilole and thienopyrrole-4,6-dione (PDTSTPD) possesses both a low optical bandgap (1.73 eV) and a deep highest occupied molecular orbital energy level (5.57 eV). The introduction of branched alkyl chains to the dithienosilole unit was found to be critical for the improvement of the polymer solubility. When blended with PC(71)BM, PDTSTPD exhibited a power conversion efficiency of 7.3% on the photovoltaic devices with an active area of 1 cm(2).     

Construction of a hyperbranched supramolecular polymer as a bifunctional antioxidative enzyme model

A HBSP has been designed as a novel bifunctional enzyme model with SOD and GPx activity by host/guest‐directed self‐assembly of MnTPyP‐M‐Ad and 6‐Te‐diCD. The structure of the host/guest complex was elucidated by ¹H NMR spectra, and the HBSP was characterized by SEM, DLS and measurement of catalytic properties. In the bifunctional enzyme model, the Mn(III) porphyrins act as efficient SOD active sites and the tellurol moieties endow GPx activity. The SOD‐like activity (IC₅₀) of this new supramolecular catalyst was found to be 1.05 × 10^?7 M, which corresponds to 2.82% of the activity of the native SOD enzyme. Besides this, the hyperbranched supramolecular polymer also shows a higher GPx activity (ν₀ = 21.7 × 10^?6 M · min^?1) than other supramolecular enzyme models.

     

常态中子深度分析物理模型

带电离子在样品内输运过程中的能量岐离、探测立体角有效范围及探测系统噪声都将改变中子深度分析（NDP）的多道离子能谱分布。假定上述三种因素导致的离子探测谱能量展宽都可以采用高斯函数描述,基于一般条件下的NDP装置设计,建立了预测一定深度核素产生的离子测量谱的探测器响应函数物理模型。该模型的理论分析结果与实验测量能谱的峰位、半高宽均符合良好,能够作为中子深度分析测量谱反演分析的基础。