The first-principles study of ferroelectric behaviours of PbTiO3/SrTiO3 and BaTiOn/SrTiO3 superlattices

We have performed the first-principles calculation to investigate the origins of ferroelectricities and different po- larization behaviours of superlattices BaTiO3/SrTiO3 and PbTiO3/SrTiO3. The density of state （DOS） and electronic charge profiles show that there are strong hybridizations between atoms Ti and O and between atoms Pb and O which play very important roles in producing the ferroelectricities of superlattices BaTiO3/SrTiO3 and PbTiO3/SrTiO3. Ow- ing to the decline of internal electric field in SrTiO3 （ST） layer, the tetragonality and polarizations of superlattices decrease with increasing the fraction of SrTiO3 in the superlattices. We find that the polarization of PbTiO3/SrTiO3 is largerthan that of BaTiO3/SrTiO3 at the same ratio of components, because the polarization mismatch between PbTiO3 and SrTiO3 is larger than that between BaTiO3 and SrTiO3. The polarization and tetragonality are en- hanced with respect to those of bulk tetragonal BaTiO3 in the superlattices BaTiO3/SrTiO3, while the polarization and tetragonality are reduced with respect to those of bulk tetragonal PbTiO3 in superlattices PbTiO3/SrTiO3.     

Magnetocaloric effect in ErCo2 compound

The ErCo2 compound is prepared by arc-melting and its entropy changes are calculated using Maxwell relation. Its entropy change reaches 38 J/（kg·K） and its refrigerant capacity achieves 291 J/kg at 0-5 T. The mean field approximation is used to calculate the magnetic entropy of ErCo2 compound. Results estimated by using the Maxwell relation deviate from mean field approximation calculations in ferrimagnetic state; however, the data obtained by the two ways are consistent in the vicinity of phase transition or at higher temperatures. This indicates that entropy changes are mainly derived from magnetic degree of freedom, and the lattice has almost no contribution to the entropy change in the vicinity of phase transition but its influence is obvious in the ferrimagnetic state below TC.     

Simple theoretical analysis of the thermoelectric power in quantum dot superlattices of non-parabolic heavily doped semiconductors with graded interfaces under strong magnetic field

We study theoretically the thermoelectric power in the presence of a large magnetic field (TPM) in heavily doped III–V, II–VI, PbTe/PbSnTe, strained layer and HgTe/CdTe quantum dot superlattices (QDSLs) with graded structures on the basis of newly formulated electron energy spectra and compare the same with that of the constituent materials. It has been found, taking heavily doped GaAs/Ga_1−xAl_xAs, CdS/CdTe, PbTe/PbSnTe, InAs/GaSb and HgTe/CdTe QDSLs as examples, that the TPM increases with increasing inverse electron concentration and film thickness, respectively, in different oscillatory manners and the nature of oscillations is totally band structure dependent. We have also suggested the experimental methods of determining the Einstein relation for the diffusivity–mobility ratio, the Debye screening length and the electronic contribution to the elastic constants for materials having arbitrary dispersion laws.     

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利用组态软件编程设计监控界面,监控节点通过与现场总线控制器及高压监控节点的通信,实现对极向场电源状态的实时、可靠监控,并经ODBC接口将状态数据发送至数据库节点备份。简述了电源监控系统的构成,及通过不同的通信协议实现实时数据传输和处理的过程。     

PIV水下流场测试系统试验研究

基于粒子图像测速技术,设计研制了一套适用于水洞洞体内高速、封闭试验条件的流场测量与显示设备.该系统由光源、成像、图像处理与分析、控制和粒子投放等分系统组成，具有复杂环境下全流场的无接触、无扰动、高准确度测量和显示能力，流场测试误差小于2%，可为水下航行器外形设计及其改进提供相关的实测数据.     

浑水中非均匀光场探测图像方法

分析了传统的水下观测和激光观测技术在能见度约为0.5~1.5 m的浑浊水域和0.2 m的特浑水域观测遇到的理论和技术上的局限性.叙述了一种非均匀光场集束光水下目标图像探测方法和系统，并在各种浑浊水质中进行其特性的试验.试验结果表明该系统基本上解决了浑浊水中的观测问题.     

Perylene diimide copolymers with dithienothiophene and dithienopyrrole: Use in n‐channel and ambipolar field‐effect transistors

Solution‐processable polymers consisting of perylene diimide (PDI) acceptor moieties alternating with dithienothiophene (DTT), N‐dodecyl‐dithienopyrrole (DTP), or oligomers of these donor groups have been synthesized. We have, in addition to varying the donor, varied the N,N′ substituents of the PDIs. The thermal, optical, electrochemical, and charge‐transport properties of the polymers have been investigated. The polymers show broad absorption extending from 300 to 1000 nm with optical band gaps as low as 1.2 eV; the band gap decreases with increasing the conjugation length of donor block, or by replacement of DTT by DTP. The electron affinities of the polymers, estimated from electrochemical data, range from ?3.87 to ?4.01 eV and are slightly affected by the specific choice of donor moiety, while the estimated ionization potentials (?5.31 to ?5.92 eV) are more sensitive to the choice of donor. Bottom‐gate top‐contact organic field‐effect transistors based on the polymers generally exhibit n‐channel behavior with electron mobilities as high as 1.7 × 10^–2 cm²/V/s and on/off ratios as high as 10⁶; one PDI‐DTP polymer is an ambipolar transport material with electron mobility of 4 × 10^–4 cm²/V/s and hole mobility of 4 × 10^–5 cm²/V/s in air. There is considerable variation in the charge transport properties of the polymers with the chemical structures. © 2013 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2013     

Enhancement of OFET performance of semiconducting polymers containing benzodithiophene upon surface treatment with organic silanes

Poly{4,8‐bis(4‐decylphenylethynyl)benzo[1,2‐b:4,5‐b′]dithiophene} ( P1 ) homopolymer and poly{4,8‐bis(4‐decylphenylethynyl)benzo[1,2‐b:4,5‐b′]dithiophene ‐alt‐thiophene} ( P2 ) alternating copolymer have been synthesized by Stille coupling polymerization. The field‐effect mobilities of both polymers were measured on both untreated and silane‐treated OFET devices. Various silanes were selected to allow an incremental increase in the hydrophobicity of the silicon dioxide dielectric. A direct correlation was observed between the hydrophobicity of the silicon dioxide dielectric surface and the enhancement of the field‐effect mobilities. The highest mobilities for both polymers were measured on the OFET devices treated with heptadecafluoro‐1,1,2,2‐tetrahydro‐decyl‐1‐trimethoxysilane (FS) which generated the most hydrophobic surface. © 2011 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2011     

High speeds complementary integrated circuits fabricated with all‐printed polymeric semiconductors

Inkjet‐printed high speed polymeric complementary circuits are fabricated using an n‐type ([poly{[N,N′‐bis(2‐octyldodecyl)‐naphthalene‐1,4,5,8‐bis(dicarboximide)‐2,6‐diyl]‐alt‐5,5′‐(2,2′‐dithiophene)} [P(NDI2OD‐T2), Polyera ActivInk N2200] and two p‐type polymers [poly(3‐hexylthiophene) (P3HT) and a dithiophene‐based polymer (Polyera ActivInk P2100)]. The top‐gate/bottom‐contact (TG/BC) organic field‐effect transistors (OFETs) exhibit well‐balanced and very‐high hole and electron mobilities (μ_FET) of 0.2–0.5 cm²/Vs, which were enabled by optimization of the inkjet‐printed active features, small contact resistance both of electron and hole injections, and effective control over gate dielectrics and its orthogonal solvent effect (selection of poly(methyl methacrylate) and 2‐ethoxyethanol). Our first demonstrated inkjet‐printed polymeric complementary devices have been integrated to high‐performance complementary inverters (gain >30) and ring oscillators (oscillation frequency ～50 kHz). We believe that the operating frequency of printable organic circuits can be further improved more than 10 MHz by fine‐tuning of the device architecture and optimization of the p‐ and n‐channel semiconductor processing. © 2010 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys, 2010     

ForceFit: A code to fit classical force fields to quantum mechanical potential energy surfaces

The ForceFit program package has been developed for fitting classical force field parameters based upon a force matching algorithm to quantum mechanical gradients of configurations that span the potential energy surface of the system. The program, which runs under UNIX and is written in C++, is an easy‐to‐use, nonproprietary platform that enables gradient fitting of a wide variety of functional force field forms to quantum mechanical information obtained from an array of common electronic structure codes. All aspects of the fitting process are run from a graphical user interface, from the parsing of quantum mechanical data, assembling of a potential energy surface database, setting the force field, and variables to be optimized, choosing a molecular mechanics code for comparison to the reference data, and finally, the initiation of a least squares minimization algorithm. Furthermore, the code is based on a modular templated code design that enables the facile addition of new functionality to the program. © 2010 Wiley Periodicals, Inc. J Comput Chem, 2010