Charge transfer excitons: dynamic theory of vibronic spectra

The vibronic spectra of charge transfer excitons (CTE) in a molecular one-component or alternatingly ordered two-component chain are treated in the framework of a dynamic approach (neglecting thermal excitations of the intramolecular vibrations). The model introduces two mechanisms of coupling between CTEs and vibrational quanta: (1) shift of the equilibrium positions of the nuclei in the ionized donor or acceptor; (2) change of the vibrational frequency in the ionized molecule. This model allows to generalize the simple CTE Hamiltonian and the vibronic Hamiltonian of Frenkel excitons. The linear optical susceptibility is calculated in the vibronic region (one CTE and one vibrational quantum). The double splitting of vibronics of CTEs was analyzed: (1) the splitting connected with the location of the intramolecular vibration on the donors or on the acceptors; (2) the splitting connected with the symmetry of the vibronic spectra (in the degenerate case). The general structure of the vibronic spectra of CTEs is established. It contains structureless absorption lines, which correspond to two-particle bands (the phonon is excited on a neutral molecule neighboring the donor or the acceptor) and Lorentz-type lines of one-particle states, which correspond to the bound propagation of the CTE and the phonon.     

Half-width temperature dependence of nitrogen broadened lines in the ν2 band of H2O

Forty-seven N₂ broadened water vapor line-widths have been measured in the 1845-2140 cm⁻¹ spectral range with a Fourier Transform spectrometer in the 258-330 K temperature range at a spectral resolution of 0.005 cm⁻¹ for the lines with upper state rotational quantum number up to 16. The measured exponents of the temperature dependence of the width exhibit a large range of values from 1.60 to −0.86. Theoretical calculations were made using a semi-empirical technique based on the Anderson theory. The calculated broadening coefficients as well as the temperature exponents for the half-width agree satisfactory with measured values.     

NDMAP: the best material to study the Haldane's prediction

As predicted by Haldane, spin, S=1 one-dimensional (1D) Heisenberg antiferromagnet (HAF) has an energy gap between the singlet ground state and first excited triplet. On application of magnetic field, the triplet state Zeeman splits and the energy of one of the triplet state becomes zero at a critical field, H_c. Above H_c the system recovers magnetism. Then, we expect that a quasi-1D HAF will show a magnetic long-range ordering (LRO) at low temperatures due to the inter-chain coupling. This field-induced LRO has not been observed before due to complication of the crystal structure in the materials studied so far and/or technical difficulty.From a heat capacity measurement on a single crystal of an S=1 quasi-Q1D HAF, Ni(C₅H₁₄N₂)₂N₃(PF₆), we found an anomaly at a temperature in finite fields indicating a field-induced phase transition. A magnetic LRO is confirmed by a neutron diffraction measurement on the same sample. The temperature versus magnetic field phase diagram of this compound is constructed and discussed.     

Monte Carlo ray-tracing simulation for radiative heat transfer in turbulent fluctuating media under the optically thin fluctuation approximation

The Monte Carlo ray-tracing method (MCRT) based on the concept of radiation distribution factor is extended to solve radiative heat transfer problem in turbulent fluctuating media under the optically thin fluctuation approximation. A one-dimensional non-scattering turbulent fluctuating media is considered, in which the mean temperature and absorption coefficient distribution are assumed and the shape of probability density function is given. The distribution of the time-averaged volume radiation heat source is solved by MCRT and direct integration method. It is shown that the results of MCRT based on the concept of radiation distribution factor agree with these of integration solution very well, but results of MCRT based on the concept of radiative transfer coefficient do not agree with these of integration solution. The solution of time-averaged radiative transfer equation by the concept of radiative transfer coefficient should be treated with caution.     

地面附近的高空核爆电磁脉冲环境

 主要研究在高空核爆的双指数类型电磁脉冲平面波入射时，地面附近的电磁脉冲环境。计算给出了在不同入射波状态，不同地表介质电气特性和距地面不同高度等条件下的电磁脉冲环境参数，归纳了一些规律性认识。结果显示：地面附近的电场会随距地面高度的不同而发生显著的变化，对于水平场分量，其反射场总是试图抵消入射场，而对于垂直场分量，其反射场叠加在入射场上，使得地面附近的垂直场强幅值一般大于入射波场强幅值；当入射波仰角增大时，合成电场波形的脉冲宽度会变宽；地表介质的电气特性参数不同也会对地面附近电场的波形和幅值造成一定的影响。     

纳米流体介质导热机理初探

纳米流体导热行为具有许多奇异的特性，结合纳米流体的特点和微尺度传热学原理，研究了 热流在纳米颗粒内波动式及非限域的热传导特性、纳米颗粒在悬浮液内的布朗运动、颗粒- 液体界面上液膜层原子的有规则排列、以及纳米颗粒的团簇形成及移动等四方面因素对纳米 流体导热系数的影响. 关键词： 纳米流体 导热     

风冷热泵冷热水机组动态过程仿真

本文给出了风冷热泵冷热水机组动态过程模型。系统的高、低压段被分成制冷剂侧、管壁、以及水或空气侧三个控制容积。针对每个控制容积建立了质量和能量平衡的微分方程。由于压缩机、热力膨胀阀阀体、以及四通换向阀具有较小的热惯性,因而采用稳态模型描述压缩过程、膨胀过程、以及内泄露过程。膨胀阀感温包中的制冷剂温度对于蒸发器出口温度的延迟用一阶惯性环节来描述。通过“预测-校正”和“自适应步长”方法实现系统仿真。仿真结果与测试数据吻合良好。     

射束有效宽度与成像系统MTF关系的研究

射线成像系统的射线有效宽度是评定系统成像分辨率的重要成像指标。以试验的方法,通过测试系统成像的MTF,通过对成像分辨率与射线有效宽度的关系进行研究,为射线数字成像(DR)及工业CT系统设计提供了参考。     

Si微电阻桥温度分布与热传导特性的显微Raman光谱研究

采用显微Raman光谱方法对红外目标模拟器中重掺杂Si微电阻桥单元的热传导特性进行研究，根据Si桥的实际特性建立相应的Raman散射模型，通过测量Raman峰位的移动得到高功率激光辐照下测量点的温度.对Si桥桥面分别进行了沿某些特殊线段的逐点线扫描和覆盖全部桥面的面扫描，得到各点的温升及其分布.用基于有限元分析的软件结合Si桥结构参数对各测量点的温升进行了模拟计算，其结果在热导分布的基本趋势上与实验相一致.实验细致地揭示了热导分布的局域起伏，反映出实际器件的不均匀性，为改进器件设计、优化器件性能提供了实验依据. 关键词： Raman光谱 Si桥 温度分布 热导