多壁碳纳米管与金属表面间接触行为的分子动力学模拟

碳纳米管与金属表面间的界面接触行为对碳基电子器件的性能研究具有重要意义.本文利用分子动力学模拟方法研究了端部开口和闭口的多壁碳纳米管与金属表面间的界面接触构型和粘着强度.模拟结果表明,多壁碳纳米管在金属表面上的位置和形状变化是因为减少的范德瓦耳斯能转变成碳纳米管的内能;多壁碳纳米管与金属表面的结合能为负值,表明两者存在粘着作用;多壁碳纳米管水平地接触金属表面时的粘着强度受初始间距、接触长度和金属种类影响,即范德瓦耳斯能作用的初始间距阈值约为1 nm且最终平衡状态时的两者间距约为0.3 nm;随着两者接触长度增加,粘着强度增大,铂与碳纳米管的粘着强度比钨和铝的大;端部开口和闭口的碳纳米管与金属表面垂直接触时的粘着强度都比水平接触时的小,两端开口的碳纳米管在金属表面上发生径向压缩变形,最终形成带状结构;而两端封闭的碳纳米管在金属表面上发生轴向压缩变形;在碳纳米管场效应晶体管中,两端开口的多壁碳纳米管与单壁碳纳米管一样变形成带状结构,并且各个管壁之间以及最外层管壁与金属电极之间的间距相当,该原子尺度的间距(约0.34 nm)保证电子从金属隧穿到最外层管壁,并在内层管壁之间径向迁移.     

形变碳纳米管中水的输运行为研究

水分子通过碳纳米管的运输行为对认识生命的新陈代谢活动、海水淡化和纳米运输器件有着重要的参考作用. 本文通过分子动力学的方法研究了水分子通过形变碳纳米管的运输行为, 即椭圆柱状碳纳米管的离心率e对管内水分子输运的影响. 结果发现椭圆柱状碳纳米管的离心率对管内水分子的偶极矩概率分布、径向函数分布和流量有重要的影响作用. 分析认为碳纳米管的形变使管内水分子的偶极矩态及其运输状态发生变化; 同时也发现在一定范围内通过改变碳纳米管的形状能起到分子开关的作用.     

形变碳纳米管中水的输运行为研究

水分子通过碳纳米管的运输行为对认识生命的新陈代谢活动、海水淡化和纳米运输器件有着重要的参考作用.本文通过分子动力学的方法研究了水分子通过形变碳纳米管的运输行为,即椭圆柱状碳纳米管的离心率e对管内水分子输运的影响.结果发现椭圆柱状碳纳米管的离心率对管内水分子的偶极矩概率分布、径向函数分布和流量有重要的影响作用.分析认为碳纳米管的形变使管内水分子的偶极矩态及其运输状态发生变化;同时也发现在一定范围内通过改变碳纳米管的形状能起到分子开关的作用.     

径向双氮掺杂小口径单壁碳纳米管能带结构压缩应变响应研究

采用基于密度泛函的第一性原理方法对径向C-C键两端进行双氮原子替位掺杂的小口径锯齿型单壁碳纳米管模型进行能带结构压缩应变响应研究。径向双氮掺杂对锯齿型小口径碳纳米管能带结构产生剧烈的影响,使得能较好保持金属性的(4,0)和(5,0)碳纳米管带隙打开。内禀金属性的(3,0)和(6,0)碳纳米管带隙能够通过氮掺杂和压缩应变对其电子结构产生影响。结果表明,结合径向双氮掺杂及压缩应变两种方式能够有效地对强烈键杂化效应引发的金属小口径锯齿型单壁碳纳米管产生丰富的带隙调制行为。这在碳纳米管基纳机电系统的应用和设计上有潜在的应用价值。     

剪切形变对硼氮掺杂碳纳米管超晶格电子结构和光学性能的影响

碳纳米管作为最先进的纳米材料之一, 在电子和光学器件领域有潜在的应用前景, 因此引起了广泛关注. 掺杂、变形及形成超晶格为调制纳米管电子、光学性质提供了有效途径. 为了理解相关机理, 利用第一性原理方法研究了不同剪切形变下扶手椅型硼氮交替环状掺杂碳纳米管超晶格的空间结构、电子结构和光学性质. 研究发现, 剪切形变会改变碳纳米管的几何结构, 当剪切形变大于12%后, 其几何结构有较大畸变. 结合能计算表明, 剪切形变改变了掺杂碳纳米管超晶格的稳定性, 剪切形变越大, 稳定性越低. 电荷布居分析表明, 硼氮掺杂碳纳米管超晶格中离子键和共价键共存. 能带和态密度分析发现硼氮交替环状掺杂使碳纳米管超晶格从金属转变为半导体. 随着剪切形变加剧, 纳米管超晶格能隙逐渐减小, 当剪切形变大于12%后, 碳纳米管又从半导体变为金属. 在光学性能中, 剪切形变的硼氮掺杂碳纳米管超晶格的光吸收系数及反射率峰值较未受剪切形变的均减小, 且均出现了红移.     

Peierls相变与磁场中碳纳米管的场发射

应用紧束缚模型和WKB方法研究碳纳米管的out-of-plane型Peierls相变,及其对碳纳米管的场发射的影响.结果发现Peierls相变会在室温出现,并使碳纳米管费米面附近出现能隙,导致碳纳米管发生金属—半导体转变,从而抑制碳纳米管的场发射.磁场也会抑制Peierls形变,Peierls相变和磁场相互竞争影响碳纳米管的能带结构,从而影响碳纳米管的场发射. 关键词： 场发射 碳纳米管 Peierls相变     

单根超细多壁碳纳米管大尺寸弹性形变过程原位纳米力学研究

本文利用原位透射电子显微镜技术,研究了单根超细(直径20 nm)多壁碳纳米管(MWCNT)在轴向载荷下形貌和结构的演化过程,并对同步获取的多壁碳纳米管力-位移(F-D)曲线进行了分析.有趣的是,经历过15次轴向压缩循环后,MWCNT在形貌和结构上都几乎保留了原始形态.大尺寸的弹性形变过程表明,碳纳米管具有良好的柔韧性和抗压缩性能.根据F-D曲线拟合得出的碳纳米管的杨氏模量约为0.655 TPa.     

单壁氮化硼纳米管压缩特性的分子动力学模拟

采用分子动力学方法,分别模拟完好的和含有缺陷的(7,7)扶手椅型氮化硼纳米管的轴向压缩过程.原子间的相互作用采用Tersoff多体势函数来描述.为验证结果的可靠性,同时针对(7,7)扶手椅型碳纳米管进行对比计算.结果表明,氮化硼纳米管的压缩失效模式同碳纳米管相同,均表现为管壁的局部屈曲.发现纳米管的压缩强度,如临界轴向内力在低温下受温度影响明显,并且和应变率的大小有关.然而,应变率对纳米管的弹性变形没有影响.另外,还发现空位缺陷降低了纳米管的力学性能.与完好的纳米管相比,含有缺陷的纳米管轴向压缩强度对于温度的影响并不敏感.     

单根超细多壁碳纳米管大尺寸弹性形变过程原位纳米力学研究（英文）

本文利用原位透射电子显微镜技术,研究了单根超细(直径20 nm)多壁碳纳米管(MWCNT)在轴向载荷下形貌和结构的演化过程,并对同步获取的多壁碳纳米管力-位移(F-D)曲线进行了分析.有趣的是,经历过15次轴向压缩循环后,MWCNT在形貌和结构上都几乎保留了原始形态.大尺寸的弹性形变过程表明,碳纳米管具有良好的柔韧性和抗压缩性能.根据F-D曲线拟合得出的碳纳米管的杨氏模量约为0.655 TPa.     

高能通量脉冲电子束作用下钽靶破坏初步研究

 使用Monte-Carlo程序MCNP在2维情况下模拟得到了高能通量脉冲电子束在钽金属靶中的能量沉积。根据能量沉积的模拟结果以及实验后靶上穿孔的大小和形貌,提出了电子束对不同结构钽金属靶破坏的物理机制。由于能量沉积的差异,1 mm实心靶中的热激波在一定时间内沿径向和轴向持续对靶材进行压缩,而在叠靶中这种压缩效果并不明显,因此实验后1 mm实心靶上穿孔的大小几乎是叠靶上的两倍。根据理论模型分析得到的靶材熔融喷射和层裂现象与实验结果相吻合。     

Guided-Wave Two-Dimensional Acousto-Optic Scanner Using Proton-Exchanged Lithium Niobate Waveguide

Two-dimensional scanning of a 0.6328 mum guided-light beam has been realized using noncolinear acousto-optic (AO) coplanar Bragg diffraction together with colinear AO guided-mode to substrate radiation-mode conversion in a Z-cut Xpropagation LiNbO3 proton-exchanged (PE) waveguide. The two surface acoustic (SAW) waves utilized are at the center frequencies of 500 and 200 MHz, propagating in the Y and X axes, respectively. Two-dimensional scanning of approximately 720 resolvable light beam spots, namely, 18 40 (horizontal vertical) scanning, has been demonstrated using a light beam of 1.0 mm aperture. The total number of resolvable beam spots can be greatly increased from 720 by simply utilizing SAW transducers of larger bandwidth and a light beam of greater aperture. It should also be possible to significantly increase the diffraction efficiency from 3 % by optimizing the parameters of the PE waveguide and the SAWs.     

Hybrid Wavelength and Code Division Multiple Access in Optical Networks

A review of schemes for multiple access in fiber optic networks shows that a hybrid of wavelength and code division multiple access (WCDMA) combines the best features of both. In particular, the hybrid scheme retains the large information carrying capacity of wavelength division multiple access (WDMA) and flexibility of code division multiple access (CDMA). In this paper WDMA, optical CDMA (OCDMA), and WCDMA networks are discussed. In OCDMA networks, concept of incoherent and coherent coding including inverse decoding and matched filter is introduced. The delay performance of both WDMA and WCDMA networks, under the simple suboptimum access protocols based on cyclic search, is computed. It has been shown quantitatively that tuning delay significantly affects the delay performance of both WDMA and WCDMA networks. Futhermore, delay performance of WCDMA networks is always better than the WDMA networks for the same tuning delay, load, and number of users.     

Effect ofγ-radiation on the spectral luminescence characteristics of impure cadmium tungstate crystals

Results of a study of the effect of γ-radiation on the spectral luminescence properties of cadmium tungstate crystals doped with silver, bismuth, and molybdenum cations are presented. Spectral characteristics of the nondnnnoped crystals are briefly described. Absorption and photo and X-ray luminescence spectra of the crystals taken before and after exposure to γ-radiation (5.5·10⁴ Gy) are compared. It is found that the spectral characteristics of the crystals doped with silver, bismuth, and molybdenum cations do not change markedly after the exposure. The relation between the type of impurity-induced defects, individual characteristics of the impurity cations, and the character of the effect of γ-radiation on the spectral luminescence properties of impure crystals is analyzed (preliminarily). Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 64, No. 1, pp. 55–60, January–February, 1997.     

Research on beamforming method for dual-line array with space mismatch between the two line arrays

The performance of port/starboard discrimination of dual-line array will be seriously degraded when the space between the two line arrays of the dual-line array is mismatched. The directivity function of the delay-sum and delay-subtract beamforming is deduced and the port/starboard discrimination of the delay-sum and delay-subtract beamforming is also studied both under the ideal status and the status under which the space between the two line arrays of the dual-line array is mismatched. Analysis results show the delay-subtract beamforming has better performance of port/starboard discrimination. At last, the sea trial results demonstrate the theoretical results.     

Retrieval of ultraviolet skylight radiances and O3 slant column densities from balloon-borne limb spectrometer

With a novel light-weight and absolutely calibrated ultraviolet （UV） spectrometer, UV skylight radiances and O3 slant column densities are measured by balloon-borne limb measurements in Xinjiang area, China. UV skylight radiances measured at the height of 31 km are compared with the results from Modtran in the wavelength range from 290 to 420 nm. O3 slant column densities are derived from radiance spectra in the Huggins bands （320 - 335 nm） using differential optical absorption spectroscopy method. And the parameter exhibits a good correlation with the same value simulated by radiative transfer model （Tracy）. The O3 profile simultaneously measured by an O3 sonde is used as input in Tracy calculations. The O3 sonde is launched on the same balloon.     

Design optimization of highly sensitive LSPR enhanced surface plasmon resonance biosensors with nanoholes

For breaking through the sensitivity limitation of conventional surface plasmon resonance (SPR) biosensors, novel highly sensitive SPR biosensors with Au nanoparticles and nanogratings enhancement have been proposed recently.But in practice, these structures have obvious disadvantages.In this study, a nanohole based sensitivity enhancement SPR biosensor is proposed and the influence of different structural parameters on the performance is investigated by using rigorous coupled wave analysis (RCWA).Electromagnetic field distributions around the nanohole are also given out to directly explain the performance difference for various structural parameters.The results indicate that significant sensitivity increase is associated with localized surface plasmons (LSPs) excitation mediated by nanoholes.Except to outcome the weakness of other LSP based biosensors, larger resonance angle shift, reflectance amplitude, and sharper SPR curves' width are obtained simultaneously under optimized structural parameters.     

Polymer gratings based on photopolymerization for low-order distributed feedback polymer lasers

Novel polymer distributed feedback(DFB)gratings are fabricated based on photopolymerization to reduce lasing threshold of polymer lasers.A photopolymer formulation sensitive to 355-nm ultraviolet(UV)light is proposed for the fabrication of polymer gratings and it can be used to form polymer films by spin-coating process.A very low surface-relief depth ranging from 12.5 to about 1.0 nm has been demonstrated with a refractive-index modulation of about 0.012.The experimental results indicate that such polymer gratings have promising potentials for the fabrication of low-order DFB organic semiconductor lasers.     

A novel methodology for photometric compensation of projection display on patterned screen

We propose a novel methodology based on the projector-camera (ProCam) system to address the photometric compensation issue for the projection display on the patterned screen.The patterned screen is treated as the combination of a perfect white screen and a color modulator.The perfect white screen is used to automatically and accurately characterize the ProCam system offline using the polynomial model,and the parameters of the color modulator can be efficiently recovered by employing only two gray images based on the linear reflectance model.The experimental results show that the color artifacts of the display image can be greatly improved with this methodology,which demonstrates its feasibility and validity in the photometric compensation.     

Direction-of-arrival estimation using matrix spatial prefiltering approach

An approach to direction-of-arrival （DOA） estimation for multiple narrowband farfield signals is proposed. The technique uses a novel matrix spatial prefiltering approach. Specifically, a matrix filter is designed to spatially filter the incoming data snapshots. The un-wanted components arriving from the stopband angular sectors are attenuated and the desired components from the angular sector of interest pass with minimal distortion. The matrix filter spatially filters the element-space data and the output reserves the element-space data property, which makes it very useful by passing sensor data through a spatial prefilter prior to applying many other array processors to attenuate interferences and improve system performance. Several examples of DOA estimation problem are presented to illustrate the performance of the proposed spatial prefiltering approach. Results of simulation and real data show that the pre-filter can efficiently attenuate the spatial interferences and significantly improve the estimation and resolution capability of DOA estimators at low signal-to-noise ratios for the sources located inside the passband sector. In addition, the use of spatial prefilter makes it possible to estimate DOAs for multiple sources more than the number of the elements of an array.     

Quantum efficiency calibration of opto-electronic detector by means of correlated photons method

A new calibration method of detectors can be realized by using correlated photons generated in spontaneous parametric down-conversion (SPDC) effect of nonlinear crystal.An absolute calibration system of detector quantum efficiency is performed.And its principle and experimental setup are introduced.A continuouswave (CW) ultraviolet (351 nm),diode-pumped,frequency-doubled,and solid-state laser is used to pump BBO crystal.The quantum efficiencies of the photomultiplier at 633,702,and 789 nm are measured respectively.The coincidence peaks are observed using coincidence circuit.Some measurement factors including the filter bandwidth of trigger channel,the detector position alignment and polarization of the pump light are analyzed.The uncertainties of this calibration method are also analyzed,and the relative uncertainties of total calibration are less than 5.8%.The accuracy of this method could be improved in the future.