小液滴撞击壁面传热特性数值分析

小液滴撞击壁面现象在喷雾冷却等领域都有广泛应用.为研究小液滴(微米)撞击热壁面(非沸腾区)传热过程,建立了二维液滴撞壁瞬态模型,并采用相场方法对小液滴换热过程中对流热通量和导热热通量的大小进行了对比.研究结果表明:液滴撞击壁面初期形成“冷斑”,有利于小液滴与壁面的传热;小液滴撞击壁面过程中热通量峰值存在于三相接触点附近,数量级在105—106 W/m²;小液滴撞击壁面过程中受壁面浸润性和液滴尺寸对传导热通量的影响较为显著,而速度和液滴尺寸对对流热通量的影响较为显著;大多数情况下,小液滴撞击壁面传导热通量数量级在103—105 W/m²,对流热通量数量级在104—106 W/m²,对流热通量大于传导热通量,在整个换热过程中占据主导地位.     

B、N、S掺杂石墨烯表面质子吸附的第一性原理研究

表面吸附是石墨烯中质子(H~+)输运的基础步骤.本文基于第一性原理计算研究了B、N、S掺杂对石墨烯表面H~+吸附行为的影响.结果表明,B、N、S掺杂对石墨烯的晶体结构、内聚能及电子性质有重要影响,且影响程度与掺杂元素的性质密切相关,进而导致对石墨烯表面H~+吸附行为产生不同程度的影响.从吸附能的观点看,N、B、S掺杂对石墨烯表面H~+的吸附有利.研究结果对石墨烯在氢贮存、氢同位素分离、燃料电池等领域的应用具有重要的指导意义.     

LEFT-INVARIANT PSEUDO-EINSTEIN METRICS ON LIE GROUPS

In this article, we focus on left-invariant pseudo-Einstein metrics on Lie groups. To begin with, we give some examples of pseudo-Einstein metrics on Lie groups. Also we calculate the Levi-civita connection, and then Ricci tensor associated with left-invariant pseudo-Riemannian metrics on the unimodular Lie groups of dimension three. Furthermore, we show that the left-invariant pseudo-Einstein metric on SL(2) is unique up to a constant. At last, we study the left-invariant pseudo-Riemannian metrics on compact Lie groups and classify the pseudo-Einstein metrics on the low-dimensional compact Lie groups.     

锯齿型石墨烯纳米带的能带研究

运用π电子紧束缚模型,具体研究了锯齿型石墨烯纳米带(ZGNRs)的边界结构对能带,特别是费米面附近的导带和价带电子的影响.计算了七种不同边界结构的ZGNRs的能带色散关系及费米面附近价带电子在原胞中各原子上的分布情况.计算结果表明:两边界都无悬挂原子的NN-ZGNRs,只有一边界有悬挂原子的DN-ZGNRs,两边界都有五边形环的SPP-ZGNRs和ASPP-ZGNRs为金属性.两边界都有悬挂原子的DD-ZGNRs,一边界为五边形环另一边界无悬挂原子的PN-ZGNRs和一边界为五边形环另一边界有悬挂原子的P 关键词： 锯齿型石墨烯纳米带 紧束缚模型 电子密度分布 缺陷结构     

伪随机序列投影三维测量中的快速子序列匹配

提出了一种适用于伪随机序列投影三维测量技术的子序列匹配快速算法.首先根据源序列的内容及子串长度构造由多层子表组成的表格;然后根据子序列的内容,从首字符开始从左到右,依次从首层表格开始向下查找;最后得到子序列在源序列中的位置.即根据首字符在首层表格中查到对应的第二层表格地址,再在第二层表格中根据第二个字符,查找第三层表格地址.以此类推,查出最后一层表格的地址.在最后一层表格中,根据末字符查找到该子序列在源序列中的位置.给出了理论分析并进行了实验验证,结果表明,在目前主流的计算机上,对于典型场景采用查表法的子序列匹配速度较常用算法快60倍以上.     

Si衬底GaN基LED的结温特性

结温是发光二极管的重要参数之一,它对器件的内量子效率、输出功率、可靠性及LED的其他一些性能有很大的影响。首次报道Si衬底GaN基LED的结温特性。利用正向压降法测量Si衬底上GaN基LED的结温,通过与蓝宝石衬底上GaNLED的结温比较,发现Si衬底GaNLED有更低的结温,原因归结为Si有更好的导热性。同时也表明:用Si作GaNLED的衬底在大功率LED方面具有更大的应用潜力。     

EAST 4.6GHz ���Ӳ�����ˮ��ṹ������Ż�

设计了EAST 4.6GHz低杂波器件的一系列主动水冷冷却结构,阐述了直波导、波导弯头、天线单元的水冷结构设计,并使用有限元模拟软件ANSYS计算了这些部件的发热和对流冷却,计算并展示了部件上的温度分布二环结构变形。通过计算,优化直波导单面水冷结构为双面水冷。计算结果表明,立弯波导弯头的水冷结构明显好于侧弯弯头。原天线单元前端温度分布集中,热应力很大,不符合实验要求。优化后的天线单元前端的温升和热变形可以达到LHCD实验要求。     

甲醇在不同形态ZrO2上吸附行为的FTIR研究

用FTIR技术考察了甲醇在不同形态氧化锆上的吸附和活化转化行为.甲醇吸附在无定型和四方氧化锆上生成线式和桥式甲氧基物种,而在单斜氧化锆上还出现锥桥式甲氧基物种.在单斜和无定性氧化锆上的桥式羟基活泼而四方氧化锆上的线式羟基活泼.氧化锆表面吸附的甲氧基物种在晶格氧的作用下进一步转化,在单斜和无定性氧化锆上生成甲酸盐,并且可以进一步氧化为碳酸盐物种;而在四方氧化锆表面,甲氧基物种可以直接氧化为碳酸盐物种,这表明四方氧化锆的晶格氧比其他两种氧化锆上的更为活泼.     

Piperidine adsorption on two different silver electrodes: A combined surface enhanced Raman spectroscopy and density functional theory study

The surface enhanced Raman scattering (SERS) spectra of piperidine in silver colloid solution, on roughened silver electrode and on roughened silver electrode modified with silver nanoparticles were studied, and the high-quality SERS spectra of piperidine on roughened silver electrode modified with silver nanoparticles were obtained for the first time. Surface selection rules derived from the EM enhancement model were employed to deduce piperidine orientations on the different surfaces. On the basis of this, two models of piperidine adsorbed on the surface of the silver nanoparticles were built, and DFT-B3PW91/LanL2dz was applied to calculate the Raman frequencies. It proves that, at higher potential values, the piperidine is perpendicularly standing on the roughened silver electrode surface though its lone-electron pair, but in silver colloid solution and on the silver nanoparticles modified silver electrode the piperidine molecular lies flat on the silver surface. In the meantime, the potential dependent SERS of piperidine on the modified electrode were studied.     

基于Wenzel模型的粗糙界面异质形核分析

异质形核是形核发生的主要形式. 经典形核理论对基底界面作了理想化平面假设,然而实际异质形核体系中理想平直的固体界面是不存在的,这导致了异质形核描述与实际情况的偏差. 考察了固相晶胚在非平整界面上的异质形核过程,基于Wenzel润湿模型,分析了非理想界面的粗糙度因子对固相晶胚形核功的影响规律. 结果表明:当基底与晶核之间的本征润湿角小于90°时,基底界面越粗糙越有利于形核;本征润湿角大于90°时,基底界面越粗糙越不利于形核. 同时,游离晶胚在基底上润湿是球冠晶胚形成的重要途径,粗糙界面润湿过程中界面自由能的 关键词： 异质形核 粗糙界面 Wenzel模型 润湿过程     

考虑意外事件对交通流影响的元胞自动机交通流模型

在NaSh模型的基础上,考虑交通事故和养护路段等意外事件对高速公路交通流的影响,建立了有意外事件影响的在车道管制下的高速公路交通流元胞自动机模型,并进行数值模拟. 研究发现:意外事件对高速公路交通流有明显影响,并且意外事件对交通流的影响在某一密度值范围内尤其明显,且意外事件堵塞点在第一车道比在第二车道对交通流的影响小;同时,在该密度值范围内,意外事件堵塞时间和堵塞路段长度越长,对交通流的影响就越大. 关键词： 元胞自动机 交通流 意外事件     

Surface charge dynamics studied by the temporal evolution of the corona charging current

The decay of surface charges deposited on the dielectric material by the partial discharge (PD) activity has a great impact on the repetition of partial discharges. In this work, the effect of dielectric placed on the surface of ground electrode in a needle-plane configuration on the discharge activity was investigated, with the application of a periodic negative step voltage. The charge decay mechanisms on a corona charged dielectric surface were investigated based on a comparison between experiments and a FEM-based numerical model. The comparison indicates that the surface charges may decay due to different mechanisms depending on the applied stress.     

C---H bond activation of formate on clean and K-covered Ru(001): a theoretical study

An extended Hückel (EH) study is performed on the clusters representing a formate adsorbed on Ru(001) and on in order to investigate the effect of potassium on the selectivity of decomposition of formate on Ru(001). The adsorption geometry and the VSIP (valence state ionization potential) values of EH parameters are determined from ab initio calculations on small clusters. The EH calculation reproduces well the site preference of formate on each surface suggested from experiments. The C---H bond of formate, which is our focus in this study, is calculated to be almost the same on the two surfaces when the molecular plane of formate is perpendicular to the surface; but when the plane is tilted from the surface normal and thus the C---H bond approaches the surface, the C---H bond is weakened to a much higher extent on clean Ru(001) than on K-covered Ru(001). This is in good agreement with the experimental result that the presence of potassium changes the reaction pathway of the decomposition of formate on Ru(001) by suppressing C---H bond cleavage.     

SiC热氧化SiO_2层结构的光谱学表征

C原子的存在,不仅影响SiC热氧化SiO2层与SiC间的界面态,也直接影响SiO2层的结构和致密性。本文用红外光谱对SiC和Si热氧化生长SiO2层进行了研究,分析和讨论SiO2/SiC和SiO2/Si的红外反射光谱特征峰,以及不同的热氧化条件和退火过程对这些谱峰的影响,对SiC热氧化SiO2层质量的光谱学表征进行了初步探讨。     

High-quality oriented ZnO films grown by sol-gel process assisted with ZnO seed layer

High-quality oriented ZnO films were prepared on silicon and quartz glass by sol-gel, assisted with a ZnO seed layer. The effects of the seed layer on the orientation, morphology and optical properties of ZnO films were investigated. Results show that the seed layer can effectively induce the growth of high-quality oriented ZnO films on two substrates, and the effectiveness of the seed layer strongly depends on preparation conditions, i.e., the spin-coating layer number and the preheating temperature. ZnO films with five layers on the seed layer preheated at 500 °C exhibit the single (0 0 2) orientation, which is much stronger than that on the flat substrate. Additionally, ZnO films on the seed layer show a denser internal structure and higher optical quality than that on the flat substrate. At ten layers, however, ZnO films on the seed layer show the multiple-orientation, which is similar to that on the flat substrate. Finally, the physical mechanism underlying the growth behavior of ZnO films assisted with the seed layer was discussed.     

Covariant derivative on non-linear fiber bundles

A gauge field is usually described as a connection on a principal bundle. It induces a covariant derivative on associated vector bundles, sections of which represent matter fields. In general, however, it is not possible to define a covariant derivative on non-linear fiber bundles, i.e. on those which are not vector bundles. We definelogarithmic covariant derivatives acting on two special non-linear fiber bundles — on the principal bundle and on the local gauge group bundle. The logarithmic derivatives map from sections of these bundles to the sections of the local gauge algebra bundle. Some properties of the logarithmic derivatives are formulated.     

Ballistic electron transport in wrinkled superlattices

Inspired by the problem of elastic wave scattering on wrinkled interfaces, we studied the scattering of ballistic electrons on a wrinkled potential energy region. The electron transmission coefficient depends on both wrinkle amplitude and periodicity, having different behaviors for positive and negative scattering potential energies. For scattering on potential barriers, minibands appear in the electron transmission, as in superlattices, whereas for scattering on periodic potential wells the transmission coefficient has a more complex form. Besides suggesting that tuning of electron transmission is possible by modifying the scattering potential via voltages on wrinkled gate electrodes, our results emphasize the analogies between ballistic electrons and elastic waves even in scattering problems on non-typical configurations.     

微光像增强管离子阻挡膜质量测试技术研究

鉴于通常制作的离子阻挡膜存在通孔,在阴极低电压下,经MCP电子倍增在荧光屏上显示为亮孔,为测试出规则与不规则亮孔的大小和数量,提出了一种像管的离子阻挡膜质量测试方法。该方法是在规定电压和光阴极照度的条件下,使像管光阴极接收约2lx的光照射,给像管各极施加电压使像管荧光屏上离子阻挡膜亮孔清晰可见,用10倍显微镜或相机拍照,观察荧光屏所成的离子阻挡膜通孔图像。试验结果表明：在相同的测试条件下,离子阻挡膜的制作工艺不同,离子阻挡膜质量亦不同。     

石墨烯表面的特征水分子排布及其湿润透明特性的分子动力学模拟

石墨烯因其独特的分子构型、卓越的物理化学性能而受到广泛关注.本文首先利用分子动力学模拟比较了单层石墨烯、铜、二氧化硅三者表面的浸润性,除了接触角的比较,还分析了基底表面的水分子排布,得到石墨烯表面的特征水分子排布为:表面有两层密集的水分子层,其中靠近基底的密集水分子层中O—H键与垂直基底方向夹角集中在90°附近,并且基底表面的氢键几乎都垂直于基底.另一方面,本文研究了石墨烯浸润透明特性,发现在铜和二氧化硅上添加一层石墨烯,对铜的浸润性影响较小,对二氧化硅的浸润性影响很大,不仅使其上接触角显著增大,还使得基底表面的水分子排布呈现出类似单层石墨烯上的规律.本文使用分子动力学模拟方法从微观尺度验证了文献的实验结果,从基底表面水分子排布角度分析了石墨烯独特的浸润透明特性,为进一步开发石墨烯在微结构设计上的应用提供了理论指导.