金属纳米颗粒的热导率

本文使用统计模拟方法对金属纳米颗粒的电子平均自由程进行了计算,并考察了纳米颗粒的晶格比热和声子平均群速度,最后应用动力学理论对纳米颗粒的电子热导率和声子热导率分别进行了求解.研究结果表明:具有相同特征尺寸的方形、球形纳米颗粒的无量纲电子(或声子)平均自由程比较接近.金属纳米颗粒的电子热导率远大于声子热导率;电子、声子热导率随着直径减小呈现降低趋势,而电子热导率的颗粒尺度依赖性比声子热导率更为明显;随着颗粒直径进一步减小,声子热导率与电子热导率趋于同一数量级.当纳米颗粒特征尺寸大于4倍块材电子(或声子)平均自由程,其电子(或声子)热导率的颗粒尺度依赖性将减弱.     

Transition between layered and filamentary types of anisotropy in layered superconducting structures

A model of layered superconducting structure consisting of alternating anisotropic superconducting layers S₁ and S₂ with different transition temperatures is considered. It is shown that due to competition between two origins of anisotropy - effective-mass anisotropy of individual layers and proximity-induced anisotropy the effective anisotropy of the whole system signficiantly varies temperature. The components of the effective-mass tensor m_c (along the anisotropy axis) and m_a (perpendicular to the anisotropy axis) strongly depend upon temperature. This may lead to transition between layered (m_c > m_a) and quasi one-dimensional (m_c < m_a) types of anisotropy as well as to biaxial-type anisotropy which is also temperature dependent. The field distribution in a tilted vortex in a biaxial superconductor is calculated. The change in the properties of the vortex lattice with temperature in such systems is also investigated. The properties of YBa₂Cu₃O_x/PrBa₂Cu₃O_y multilayers are discussed in this connection.     

N4H4分子取代基效应的量子化学研究

本文计算了甲基(-CH3),羟基（-OH）对1-丁氮烯和2-丁氮烯的取代基效应。当1-丁氮烯引入取代基后,N=N双键的键长变短,而N-N单键的键长增长。异构体2-丁氮烯的键长变化较小。当引入甲基或羟基后,N原子的孤对电子会与相应的N-C(N-O)键之间发生相互作用,使整个分子的超共轭作用增强。随着取代基数目的增多,总能量和生成热就会降低,取代基数目与分子能量（生成热）之间具有很好的相关性。     

表面等离子共振现象的新应用——微弱磁场的测量

提出了一种新的表面等离子体共振传感器, 它包含三层结构: 棱镜、金属薄膜及二能级介质. 通过理论分析发现, 与通常表面等离子体共振系统不同, 这一物理系统中同时存在两种共振效应 (表面等离子体共振和能级间量子跃迁的共振效应), 它们共同作用的结果导致一系列新的物理现象, 其中一个令人感兴趣的现象是入射光的反射率对外场导致的微小能级移动十分敏感 (这一现象是通常的表面等离子体共振系统所不具有的). 由于能级移动依赖于外场, 所以最终入射光的反射率对外场具有灵敏的响应. 本文以外磁场导致能级移动的情况进行了理论计算, 结果表明, 这种表面等离子体共振系统的入射光的反射率对外加磁场极其敏感. 这一特性可以用来测量物质表面附近的微弱磁场, 有可能发展成为一种新型检测技术.     

基于贝叶斯序贯方法的微波效应实验设计

提出了一种基于贝叶斯验后概率的序贯检验方法,建立了检验的判别准则,给出了判别准则临界值的计算方法。在给定截尾实验次数的条件下,提出了一种截尾方案,建立了截尾判断方法。将其用于解决验证效应物在微波作用下失效概率达到给定水平的微波效应实验设计问题,给出了相应的实验方案和所需样本量的估计。最后,通过实例对上述方法的应用过程进行了说明,并和现有方法进行了分析比较。     

Cu固液界面能的分子动力学计算

本文使用分子动力学方法对液相Cu中不同半径晶胚的生长和熔化行为进行了研究. 随着半径的增加, 晶胚生长的临界温度升高. 临界形核过冷度和晶胚半径倒数成正比关系, 这和经典形核理论一致. 由上述关系计算得到Cu的Gibbs-Thomson系数为1.12×10^-7 K·m, Cu的固液界面能为0.146 J/m², Cu的Turnbull系数为0.416, 这些计算值均与实验值一致. 关键词： 分子动力学 经典形核理论 固液界面能     

拉曼效应对负折射介质中超短脉冲传输的影响

通过数值法对包含拉曼延迟响应的(3+1)维非线性薛定谔方程进行求解,研究了超短脉冲激光在负折射介质中传输时拉曼效应对自聚焦传输特性的影响,着重分析其不同与常规介质的反常传输现象.结果表明:由于负的折射率影响,拉曼效应将导致超短脉冲在自聚焦过程中频谱发生蓝移现象,这与常规介质对应情形相反;而它对负折射介质中超短脉冲的自聚焦特性的影响与常规介质相同,即拉曼效应将诱导自聚焦效应首先发生在脉冲的前沿.本文研究工作对将来利用负折射介质来操控超短光脉冲串产生、自聚焦等许多实际应用领域研究具有重要的指导意义.     

吸收谱交迭的双组分混合液的荧光谱校正研究

荧光内滤效应以及样品池中荧光物质对激发光的吸收分布会直接影响荧光谱的强度和谱形,共同制约荧光分析法的应用。使用吸收谱及荧光谱存在交迭的双组分混合溶液,研究一种新的基于物理吸收模型的校正方法,以校正荧光内滤效应及吸收分布对荧光强度的影响。对三聚噻吩和五聚噻吩混合液的光谱研究表明,使用所述校正方法可以达到较为理想的校正效果, 误差小于5%。     

Implementation of the Laser Diffraction Technique for Acoustic Cavitation Bubble Investigations

Knowledge of the acoustic cavitation cloud would be useful for improving ultrasound reactor design. Among the characterisation techniques, few are adapted to bubble investigations in an intense ultrasound field. Some problems raised by these measurements result from interactions between the acoustic pressure wave and the measuring light wave. This paper reports the implementation of the laser diffraction technique to determine the size and volume concentration of bubbles generated by a dipping horn operating at 20 kHz. Measurements were performed with a Malvern 2600 instrument. The size distribution, deduced from the diffraction pattern scattered by the bubble cloud crossed by a laser beam, is disturbed by the acoustic pressure wave involving deviation of a light beam at low diffusion angles (acousto‐optic effect). A bubble size correction procedure based on the subtraction of the light energy due to the ultrasound wave is described. The size measurements, and thus the correction procedure, were validated by a second laser technique based on a different measuring principle: phase Doppler interferometry. The measurement reliability was further confirmed by an original application of laser diffraction based on measurements performed just after sonication. These three methods lead to a mean bubble size (Sauter mean diameter) of about 10 μm at a high ultrasound power input. Concerning the void fraction, only measurements achieved after sonication and by laser diffraction predict a correct estimation of this parameter.     

脂肪胺类化合物氨基15N NMR化学位移规律的研究

提出了计算脂肪胺类化合物的¹⁵N NMR化学位移的经验公式：δ_cal（¹⁵N）=-380.2+ΣΔα+ΣΔβ+ΣΔγ+ΣΔδ+ΣC,结合最小二乘法通过线性回归得到了11种取代基参数,计算结果以133种化合物的133个¹⁵N NMR化学位移数据为样本点进行回归检验,置信度为99.5 %,约有94.7 %的¹⁵N NMR化学位移计算值的计算误差小于5.0（相对误差小于0.5 %）.