单层n型MoS2/p型c-Si异质结太阳电池数值模拟

单层二硫化钼(MoS₂)是一种具有优异光电性能的半导体材料,在太阳能能量转换中表现出很大的应用潜力。本文基于AMPS模拟软件,对单层n型MoS₂/p型c-Si异质结太阳电池进行了数值模拟与分析。通过模拟优化,n型MoS₂的电子亲和能为3.75 eV、掺杂浓度为10¹⁸ cm^-3,p型c-Si的掺杂浓度为10¹⁷ cm^-3时,太阳电池能够取得最高22.1%的转换效率。最后模拟了n型MoS₂/p型c-Si异质结界面处的界面态对太阳电池性能的影响,发现界面态密度超过10¹¹ cm^-2·eV^-1时会严重影响太阳电池的光伏性能。     

Oxidative regulation of the mechanical strength of a C–S bond

The mechanical strength of individual polymer chains is believed to underlie a number of performance metrics in bulk materials, including adhesion and fracture toughness. Methods by which the intrinsic molecular strength of the constituents of a given polymeric material might be switched are therefore potentially useful both for applications in which triggered property changes are desirable, and as tests of molecular theories for bulk behaviors. Here we report that the sequential oxidation of sulfide containing polyesters (PE-S) to the corresponding sulfoxide (PE-SO) and then sulfone (PE-SO2) first weakens (sulfoxide), and then enhances (sulfone), the effective mechanical integrity of the polymer backbone; PE-S ∼ PE-SO2 > PE-SO. The relative mechanical strength as a function of oxidation state is revealed through the use of gem-dichlorocyclopropane nonscissile mechanophores as an internal standard, and the observed order agrees well with the reported bond dissociation energies of C–S bonds in each species and with the results of CoGEF modeling.

The mechanical strength of individual polymer chains is believed to underlie a number of performance metrics in bulk materials, including adhesion and fracture toughness.     

Norbornene derivatives from a metal‐free,strain‐promoted cycloaddition reaction: New building blocks for ring‐opening metathesis polymerization reactions

The preparation of new ring opening metathesis polymerization (ROMP) monomers using a 1,3‐dipolar cycloaddition between aryl azides and norbornadiene is described. Various norbornenetriazolines, obtained through a solvent‐and catalyst‐free reaction, can subsequently be incorporated into polymer backbones through ROMP reactions. Furthermore, thermal decomposition of the triazoline moiety can allow for further polymer functionalization. © 2015 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2015 , 53, 2357–2362     

中国先进研究堆中子科学平台发展现状及展望

依托中国先进研究堆(CARR)高通量中子源，建成了初具规模的中子科学平台，具备中子散射、中子成像和中子活化分析等多种研究技术。其中，中子散射技术包括中子衍射、小角中子散射及中子反射、非弹性中子散射，可以用于分析材料微观结构和动力学性质；热中子成像和冷中子成像可以用于材料内部缺陷等无损检测；中子活化分析系统可以用于物质内核素成分分析。目前已建成和在建中子谱仪共计19台，并初步配备了样品环境装置，为相关应用研究提供了条件基础，可为我国物理、化学、材料科学、生命科学、能源和环境等领域基础研究及工业应用提供重要技术支撑。CARR中子科学平台始终坚持合作共享对外开放的宗旨，将继续为国内外用户提供优质中子技术，服务基础科学前沿和国家重大创新需求研究。     

QEPAS系统中石英音叉模态仿真计算与研究

对石英音叉增强型光声光谱(QEPAS)系统中常用的石英音叉进行了有限元模态计算，获得石英音叉前6阶振型与模态频率，认知了第4阶对称摆动振型为有效振动，利用单因素法分析了石英音叉的音臂长度l₁、音臂宽度w₁、音臂厚度t、音臂切角θ、音臂圆孔直径d及音臂圆孔高度h对低阶有效共振频率(Fre)的影响，敏感度依次为： l₁> w₁>d>θ>t>h，考虑实际设计情形，筛选出了l₁，w₁，d与h四个石英音叉设计变量，采用Box-Behnken实验设计方案与RSM(response surface methodology)方法，以Fre为函数目标，建立l₁，w₁，d与h的二次回归响应面模型，得到了参数之间的交互作用，利用Design-Expert软件对响应面模型进行设计参数反求，结果表明，在15 000 Hz≤Fre≤25 000 Hz计算区域内误差较小，基本满足QEPAS系统的计算需求，所提出的研究与设计方法具有一定通用性，可为QEPAS系统中石英音叉结构参数设计提供参考。     

Comparative absorption kinetics of seven active ingredients of Eucommia ulmoides extracts by intestinal in situ circulatory perfusion in normal and spontaneous hypertensive rats

Eucommia ulmoides Oliv. (E. ulmoides) is a valuable and nourishing medicinal herb in China that has been used in the treatment of hypertension. Given the fact that most traditional Chinese medicine is mainly used to treat disease, investigating the pharmacokinetics of traditional Chinese medicines in the pathological state is more useful than that in the normal state. However, the differences in the absorption kinetics of active ingredients of E. ulmoides extract between pathological and physiological conditions have not been reported. Therefore, in this study, the rat intestinal in situ circulatory perfusion model was used to investigate the differences in absorption kinetics of seven active ingredients of E. ulmoides extract in normal and spontaneously hypertensive rats, namely, genipinic acid, protocatechuic acid, neochlorogenic acid, chlorogenic acid, cryptochlorogenic acid, (+)-pinoresinol di-O-β-D -glucopyranoside and (+)-pinoresinol 4′-O-β-D -glucopyranoside. Our results indicate that the pathological state of spontaneous hypertension may change the absorption of active components of E. ulmoides extracts, and these findings may provide a reference for improving the rational use of E. ulmoides in the clinic.     

Twining Poly(polyoxometalate) Chains into Nanoropes

Organic polymers and inorganic clusters belong to two different disciplines and have completely different properties and structures. When a cluster is attached to the backbone of a polymer as a pendant, the resultant hybrid polymers (polyclusters) exhibit unique behaviours totally different from those of conventional polymers owing to the nanoscale size of the cluster and its particular interactions. Herein, the aggregation of a poly(polyoxometalate)—a polynorbornene backbone with inorganic polyoxometalate cluster pendants—upon addition of a non-solvent to its dilute solution is reported. A three-dimensional network of tangled and snake-like nanothreads was observed. Direct visualisation of individual nanoscale clusters enabled identification of single chains within the nanothreads. These observations suggest that during the process of aggregation, the hybrid polymer forms curved or extended chains as a consequence of an armouring effect in which the collapsed cluster pendants wrap around the backbone. The collapse occurs because they become less soluble in the solvent/non-solvent mixture. The extended chains then become entwined and form nanoropes consisting of multiple chains wound around each other. This study provides a deeper understanding of the nature of polyclusters and should also prove useful for their future development and application.     

利用改进的Gamow-like模型研究原子核的α衰变和质子放射性

通过引入离心势和静电屏蔽效应对Gamow-like模型进行了改进，并将其用于α衰变和质子放射性研究，发现改进的Gamow-like模型能更好地符合实验数据。另外，还利用改进的Gamow-like模型预言了16个丰质子核的质子放射性的半衰期以及7个$Z=120$超重核素($^{296-308}120$)α衰变链上原子核的α衰变的半衰期，为将来在大科学装置上合成和鉴别这些新核素提供重要的理论参考。     

超导离子源铌三锡六极线圈镜像磁场约束结构的优化设计

中国科学院近代物理研究所正在进行国际首台45 GHz全铌三锡超导离子源FECR(Fourth Electron Cyclotron Resonance)磁体的研制，该离子源磁体线圈由六个铌三锡超导六极线圈和四个铌三锡超导螺线管线圈组成。由于单根超导线绕制异形六极线圈(非标准鞍型)技术难度大，且铌三锡超导性能对应力敏感，为了测试单个铌三锡六极线圈性能能否达到设计指标，基于铝合金壳层结构和Bladder-Key精确预紧技术，设计了镜像磁场约束结构。本工作主要阐述了运用ANSYS参数化设计编程对镜像磁场结构进行优化设计的过程和优化后的镜像磁场结构，确定了室温预应力大小，并给出了线圈经过室温预紧、冷却降温和加电励磁后的最大等效应力。进一步结合实际六极线圈制作公差(±0.1 mm)，分析和评估了公差对镜像磁场结构中六极线圈预应力施加的影响。     

含气率对PTS时压力容器内流动与传热的影响

本文对反应堆压力容器紧急安注时的流动与传热特性在1/10的模型上进行了流动可视化、局部传热系数以及混合函数的试验研究。针对三个热冲击敏感区域的部分测点,比较了环腔流速为0.5m/s、安注流速为1～30 m/s时不同含气率对下降环腔内流动与传热特性的影响,得出并分析了不同测点传热系数、混合函数的变化规律。研究结果表明:随着含气率增大,安注流体与环腔流体的混合增强;下降环腔内的含气率对小安注流速时的流动与传热影响显著,而对大安注流速时影响较小。