一种非正交对称条带束流位置监测器设计

介绍了一种条带束流位置监测器(BPM)的设计与仿真方法。在国家同步辐射实验室"太赫兹近场高通量材料物性测试系统"工程项目中,针对波荡器出口处真空室非正交对称性的问题,设计了矩形真空室和跑道形真空室下的两种非正交对称性条带BPM,并与传统的圆形真空室下条带BPM进行对比。基于边界元法,利用MATLAB软件分别对三种真空室下的条带BPM进行建模和仿真。仿真结果表明:相对于传统的圆形真空室下条带BPM,矩形和跑道形真空室下条带BPM灵敏度提高了30%,阻抗匹配误差相对降低了20%,束流位置拟合误差降低了80%。考虑加工精度,矩形真空室下的条带BPM更适用于该工程。     

A discontinuous Galerkin method for Stokes equation by divergence-free patch reconstruction

A discontinuous Galerkin method by patch reconstruction is proposed for Stokes flows. A locally divergence-free reconstruction space is employed as the approximation space, and the interior penalty method is adopted which imposes the normal component penalty terms to cancel out the pressure term. Consequently, the Stokes equation can be solved as an elliptic system instead of a saddle-point problem due to such weak form. The number of degree of freedoms of our method is the same as the number of elements in the mesh for different order of accuracy. The error estimations of the proposed method are given in a classical style, which are then verified by some numerical examples.     

Computational Study on the Charge Transport and Optical Spectra of Anthracene Derivatives in Aggregates

A recent experiment [Angew. Chem. Int. Ed. 2017 , 56, 722–727] found that a (1 : 9) blend film of two anthracene derivatives, 2-fluorenyl-2-anthracene ( FlAnt ) and 2-anthryl-2-anthracence ( 2 A ), exhibit both efficient white light emission and high hole mobility, thus promising for organic light-emitting transistors (OLETs). Employing quantum chemistry at the polarizable continuum model (PCM) and the quantum mechanics/molecular mechanics (QM/MM) levels, we investigated the excited-state structures, optical spectra, band structure and the carrier mobility for FlAnt and 2 A from solution to aggregate phases. We suggest using the ratio of intermolecular excitonic coupling J and intramolecular excited state relaxation energy E to judge the bathochromic shift in optical emission in aggregates. For FlAnt , ρ=J/E is calculated to be less than 0.17, a critical value we identified earlier, and the spectra in solution and aggregate phases present quite similar features (blue emission). However, ρ is ∼0.5 for 2 A systems, and the calculated emission in the aggregate phase exhibits a remarkable bathochromic shift. In addition, the 0–0 emission is strongly suppressed in the herringbone stacking. These observations justify the experimental findings that (i) 2 A is blue emissive in solution but yellow-green in the aggregate phase, whereas FlAnt is always blue, and (ii) the blend of them show white emission. By using the “quantum nuclear tunneling” model we proposed earlier, we found the hole mobility for FlAnt and 2 A are 0.5 and 4.2 cm² V⁻¹ s⁻¹, respectively, indicating both are good hole transport materials.     

1.3 GHz超导腔磁通排出效应研究

设计并搭建了一套高精度的磁场测量和补偿系统,并结合中国科学院高能物理研究所(IHEP)的2K超导腔垂直测试平台对1.3 GHz单加速间隙超导腔的磁通排出效应开展了实验研究:利用研制的磁场测量和补偿系统能够精密地测量超导腔赤道位置磁场,并能够将磁场补偿至小于5.0×10-8 T;并对超导腔不同表面温度梯度下的磁通排出效应进行了测量分析;对钉扎了磁场的超导腔进行了射频性能测试,研究了超导腔电阻对磁通钉扎的敏感度,以及在不同电场梯度下超导腔的表面电阻变化情况。结果表明,研制的高精度磁场测量和补偿系统能够满足超导腔磁通排出研究的需求;高的超导腔表面温度梯度有利于磁通的排出;磁通钉扎电阻的敏感度随着加速电场梯度的增加而增大,导致超导腔的性能下降。此实验研究也为后续超导腔的研制奠定了一定基础。     

氮低温制冷循环系统在大科学装置中的应用与发展

大科学装置中低温设备的氮低温冷量需要日益快速增长,为减少能耗和保障装置的长期稳定运行,基于大科学装置氮低温系统运行需求,介绍了氮低温制冷循环系统在国内外大科学装置中的应用情况,总结了目前大科学装置中应用氮低温制冷循环系统的研究现状,并探讨以氮制冷机为核心的氮低温制冷循环系统在未来大科学装置中发展方向。     

Machine learning-based surrogate modeling for data-driven optimization: a comparison of subset selection for regression techniques

Optimization of simulation-based or data-driven systems is a challenging task, which has attracted significant attention in the recent literature. A very e     

石墨烯纳米网电导特性的能带机理：第一原理计算

通过第一原理电子结构计算来研究有序多孔纳米网的电导特性变化的能带机理.能带结构分析结果表明:石墨烯纳米网超晶格(3m,3n)(m和n为整数)的电子本征态在布里渊区中心点发生四重简并;碳空位孔洞规则排列形成的石墨烯纳米网具有由简并态分裂形成的宽度可调带隙,无论石墨烯的两个子晶格是否对等.在具有磁性网孔阵列的石墨烯纳米网中,反铁磁耦合使对称子晶格的反演对称性增加了一项量子限制条件,导致能带结构在K点的二重简并态分裂成带隙.通过控制网孔密度能够有效调节石墨烯纳米网的带隙宽度,为实现新一代石墨烯纳米电子器件提供了理论依据.     

A Ru(II)-Based Nanoassembly Exhibiting Theranostic PACT Activity in NIR Region

Photoactivated chemotherapy (PACT) has appealing merits over traditional chemotherapy as well as photodynamic therapy (PDT) by virtue of its spatial and temporal control on drug activity and oxygen-independent mechanisms of action. However, the short photoactivation wavelengths, e.g., visible light–activated Ru(II)-based PACT agents, limit the clinical application severely. In this work, a facile construction of supramolecular nanoparticles from a poly(ethylene glycol) (PEG)-modified [Ru(dip)₂(py-SO₃)]⁺ (abbreviated as Ru-PEG, dip = 4,7-diphenyl-1,10-phenanthroline, py-SO₃ = pyridine-2-sulfonate) and 1,3-phenylenebis(pyren-1-ylmethanone) (BP) is shown. While Ru-PEG may undergo photoinduced ligand dissociation and release anticancer species of [Ru(dip)₂(H₂O)₂]²⁺, BP has extremely large two-photon absorption cross sections (δ₂) in the NIR region and intense fluorescence over the wavelengths where Ru-PEG has strong absorption. Thus, two-photon excitation of BP followed by an efficient Förster resonance energy transfer (FRET) from BP to Ru-PEG may lead to a potent inactivation against cisplatin-resistant cancer cells and 3D multicellular tumor spheroids (MCTSs). The residue fluorescence of BP also allows the cellular uptake of the particles to be visualized. This work provides a universal and convenient strategy to realize theranostic PACT in the ideal phototherapeutic window of 650–900 nm.     

Investigation of active-region doping on InAs/GaSb long wave infrared detectors

The eight-band κ·p model is used to establish the energy band structure model of the type-II InAs/GaSb superlattice detectors with a cut-off wavelength of 10.5μm,and the best composition of M-structure in this type of device is calculated theoretically.In addition,we have also experimented on the devices designed with the best performance to investigate the effect of the active region p-type doping temperature on the quantum efficiency of the device.The results show that the modest active region doping temperature(Be:760℃)can improve the quantum efficiency of the device with the best performance,while excessive doping(Be:>760℃)is not conducive to improving the photo response.With the best designed structure and an appropriate doping concentration,a maximum quantum efficiency of 45% is achieved with a resistance-area product of 688?·cm^2,corresponding to a maximum detectivity of 7.35×10^11cm·Hz^1/2/W.