高声速（100）择优取向AIN薄膜的制备和性能研究

采用射频磁控溅射法,通过改变工艺参数在n型（100）Si片上制备了表面粗糙度小、以（100）面择优取向的AlN薄膜。研究了高温退火、N2结尾等工艺对AIN薄膜择优取向的影响。结果表明,增大工作气压有利于薄膜（100）面择优取向,但是随着工作气压升高薄膜沉积不均匀,通过退火可以减少这种缺陷;N2-Ar比低有利于（100）...     

Physicochemically Stable Polymer‐Coupled Oxide Dielectrics for Multipurpose Organic Electronic Applications

A chemically coupled polymer layer is introduced onto inorganic oxide dielectrics from a dilute chlorosilane‐terminated polystyrene (PS) solution. As a result of this surface modification, hydrophilic‐oxide dielectrics gain hydrophobic, physicochemically stable properties. On such PS‐coupled SiO₂ or AlO_x dielectrics, various vacuum‐ and solution‐processable organic semiconductors can develop highly ordered crystalline structures that provide higher field‐effect mobilities (μ_FETs) than other surface‐modified systems, and negligible hysteresis in organic field‐effect transistors (OFETs). In particular, the use of PS‐coupled AlO_x nanodielectrics enables a solution‐processable triethylsilylethynyl anthradithiophene OFET to operate with μ_FET ～ 1.26 cm² V^?1 s^?1 at a gate voltage below –1 V. In addition, a complementary metal‐oxide semiconductor‐like organic inverter with a high voltage gain of approximately 32 was successfully fabricated on a PS‐coupled SiO₂ dielectric.     

PetFMM—A dynamically load‐balancing parallel fast multipole library

Fast algorithms for the computation of N‐body problems can be broadly classified into mesh‐based interpolation methods, and hierarchical or multiresolution methods. To this latter class belongs the well‐known fast multipole method (FMM ), which offers ??(N) complexity. The FMM is a complex algorithm, and the programming difficulty associated with it has arguably diminished its impact, being a barrier for adoption. This paper presents an extensible parallel library for N‐body interactions utilizing the FMM algorithm. A prominent feature of this library is that it is designed to be extensible, with a view to unifying efforts involving many algorithms based on the same principles as the FMM and enabling easy development of scientific application codes. The paper also details an exhaustive model for the computation of tree‐based N‐body algorithms in parallel, including both work estimates and communications estimates. With this model, we are able to implement a method to provide automatic, a priori load balancing of the parallel execution, achieving optimal distribution of the computational work among processors and minimal inter‐processor communications. Using a client application that performs the calculation of velocity induced by N vortex particles in two dimensions, ample verification and testing of the library was performed. Strong scaling results are presented with 10 million particles on up to 256 processors, including both speedup and parallel efficiency. The largest problem size that has been run with the P etFMM library at this point was 64 million particles in 64 processors. The library is currently able to achieve over 85% parallel efficiency for 64 processes. The performance study, computational model, and application demonstrations presented in this paper are limited to 2D. However, the software architecture was designed to make an extension of this work to 3D straightforward, as the framework is templated over the dimension. The software library is open source under the PETS c license, even less restrictive than the BSD license; this guarantees the maximum impact to the scientific community and encourages peer‐based collaboration for the extensions and applications. Copyright © 2010 John Wiley & Sons, Ltd.     

Microstructure, mechanical and tribological properties of Ti(C, N)/a-C gradient composite films

Ti(C, N)/a-C composite films with compositional gradient from Ti-TiN-Ti(C, N) to Ti-containing a-C layers have been prepared by closed-field unbalanced magnetron sputtering. Within the composite films, the carbon contents gradually increase and achieve maximum in the a-C layer by increasing the power applied to the graphite targets, the nitrogen contents gradually decrease to zero from Ti(C, N) layer of the interface to a-C layer of the films. In order to achieve a good combination of the mechanical and tribological properties in the composite films, a designed experimental parameter basing on various substrate rotation speeds is also selected. Results show that the compositional gradient result in the microstructure change of composite films where the Ti(C, N) layers consist of fine nanocolumnar Ti(C, N) grains and the a-C layers consist of 2-7 nm TiC nanocrystallites embedded in an amorphous C matrix. The Ti(C, N) layers also exhibit clear multilayer structure where the period thickness gradually decreases as substrate rotation speed increases. Under higher rotation speed, disappearance of the multilayer structure is accompanied with simultaneous increase in the crystallinity of Ti(C, N) layer and also the Ti(C, N) grain size. In the a-C layer, the TiC nanocrystallites embedded in the a-C matrix is produced by the high rotation speeds. The Ti(C, N)/a-C gradient composite films exhibit high microhardness values (~5000 H_V) and low friction coefficient (~ 0.15), which is related to the hard Ti(C, N) layer and self-lubricate a-C layer, respectively. The combination of the Ti(C, N) layer with a-C layer increases the load and the wear resistance capacity of the composite films, which gives satisfactory friction performance in the pin-on-disk tests with a wear rate of 3.7 × 10^− 17 m³/mN.     

Hierarchical Carbon–Nitrogen Architectures with Both Mesopores and Macrochannels as Excellent Cathodes for Rechargeable Li–O2 Batteries

Lithium–oxygen batteries are attracting more and more interest; however, their poor rechargeability and low efficiency remain critical barriers to practical applications. Herein, hierarchical carbon–nitrogen architectures with both macrochannels and mesopores are prepared through an economical and environmentally benign sol–gel route, which show high electrocatalytic activity and stable cyclability over 160 cycles as cathodes for Li–O₂ batteries. Such good performance owes to the coexistence of macrochannels and mesopores in C–N hierarchical architectures, which greatly facilitate the Li⁺ diffusion and electrolyte immersion, as well as provide an effective space for O₂ diffusion and O₂/Li₂O₂ conversion. Additionally, the mechanism of oxygen reduction reactions is discussed with the N‐rich carbon materials through first‐principles computations. The lithiated pyridinic N provides excellent O₂ adsorption and activation sites, and thus catalyzes the electrode processes. Therefore, hierarchical carbon–nitrogen architectures with both macrochannels and mesopores are promising cathodes for Li–O₂ batteries.     

智能车内环境自调节系统（泊车用）的设计与规划

针对目前汽车产业内泊车时的车内环境调节技术的发展滞后,致使很多车主夏季不得不使用凉椅、遮阳挡,冬季面对发动机点火难的尴尬,以及车载空调耗油、噪声大的缺点。利用珀尔帖效应原理,根据实际需求制作规格合适的半导体制冷模块,并利用L298N芯片控制,结合单片机最小系统、数字温度传感器DS18B20、LED显示电路、按键等功能,检测、控制,执行。并通过相关实验,最终实现了系统整体要求也同时贴补了这一领域的研究空白。     

Cleaning of nitrogen-containing carbon contamination by atmospheric pressure plasma jet

Atmospheric pressure plasma jet (APPJ) was used to clean nitrogen-containing carbon films (C–N) fabricated by plasma-assisted chemical vapor deposition method employing the plasma surface interaction linear device at Sichuan University (SCU-PSI). The properties of the contaminated films on the surface of pristine and He-plasma pre-irradiated tungsten matrix, such as morphology, crystalline structure, element composition and chemical structure were characterized by scanning electron microscopy, grazing incidence x-ray diffraction and x-ray photoelectron spectroscopy. The experimental results revealed that the removal of C–N film with a thickness of tens of microns can be realized through APPJ cleaning regardless of the morphology of the substrates. Similar removal rates of 16.82 and 13.78 μm min−1 were obtained for C–N films deposited on a smooth pristine W surface and rough fuzz-covered W surface, respectively. This is a remarkable improvement in comparison to the traditional cleaning method. However, slight surface oxidation was found after APPJ cleaning, but the degree of oxidation was acceptable with an oxidation depth increase of only 3.15 nm. Optical emission spectroscopy analysis and mass spectrometry analysis showed that C–N contamination was mainly removed through chemical reaction with reactive oxygen species during APPJ treatment using air as the working gas. These results make APPJ cleaning a potentially effective method for the rapid removal of C–N films from the wall surfaces of fusion devices.     

CO2/N2原位置换开采天然气水合物方案的设想

首先对目前天然气水合物开采方法进行归纳和总结,重点分析了CO2/N2置换开采,它能在开采天然气水合物的同时,实现CO2地下存储。然后提出将水平对接井和压裂工艺引入到CO2/N2原位置换开采方案,水平对接井可导通储层裂隙系统,压裂工艺可产生大导流能力裂缝,故而解决了由于水合物层低传热传质性和低渗透性带来的开采效率低的问题,该方案具有经济、高效和环保等特点。     

药物靶标作用关系预测结果评价及查询验证

药物靶标作用关系预测是一种重要的辅助药物研发手段,而生物实验验证药物靶标作用关系耗钱耗时,因此,在数据库中查询验证预测的药物靶标作用关系是对预测方法的重要评价.基于KEGG,DrugBank,ChEMBL这3个数据库,利用爬虫获取信息的方式设计开发了药物靶标作用关系查询验证方法DTcheck(drug-target check),实现了对于提供KEGG DRUG ID及KEGG GENES ID的药物靶标对的高效查询验证功能,并利用DTcheck分别为Enzyme,IC(ion channel),GPCR(G-protein-coupled receptor),NR(nuclear receptor)四个标准数据集扩充新增药物靶标作用关系907,766,458,40对.此外,结合DTcheck查询验证,以BLM(bipartite local models)方法为例分析了预测结果的评价问题,结果表明,采用AUC(area under curve)值评价药物靶标作用关系预测方法没有Top N评价合理,且AUC值低的BLMd方法在预测新的药物靶标作用关系时优于AUC值高的BLMmax方法.