撞击诱导硝基甲烷分子第一步分解反应的动力学计算

本文基于分子温度与压强的关系,计算在不同压强下基态和最低三态硝基甲烷的分子温度,对应计算其沿着CN键裂解反应的热化学和动力学参数.发现基态的硝基甲烷沿着CN键的分解反应是吸热反应,不具自发性,反应转换温度为1550.2 K,平衡常数在80-1202 K温度范围内很低.最低三态的硝基甲烷沿着CN键的裂解是放热反应,反应的Gibbs自由能在80-2558.5 K范围内为负,有好的自发性,且反应较为彻底.298.15-2558.5 K温度范围内反应活化能随着温度的升高而改变,使反应速率随着温度的升高而急剧增大.对应硝基甲烷爆压15 GPa,其分子温度为4617.6 K,该温度下三态分子分解反应的反应速率为1.088×10~8cm~3·mol~(-1)·s~(-1).推算硝基甲烷沿着CN键分解反应混合物的终态温度,当混合物为硝基、甲基和基态的硝基甲烷分子时,反应的终温为1611.37 K,等效能为1676.47 cm~(-1).当混合物为硝基、甲基、基态和最低三态的硝基甲烷分子时,反应的终温为1184.79 K,等效能为1232.65 cm~(-1).两种情况下终态等效能都足以维持硝基甲烷分子沿C-N键裂解反应的发生.这个能量也足以导致混合物中的NO_2分解为NO和O,这与实验检测的结论相一致.     

少周期非均匀场下原子空间位置对高次谐波发射的影响

本文通过数值求解含时薛定谔方程,研究了少周期非均匀激光脉冲作用下氦原子选取不同的空间位置时高次谐波的发射情况.通过对原子在纳米结构空隙中心附近区域不同空间位置上的高次谐波发射情况的研究发现,非均匀激光场中,即使原子处在中心附近的很小的区域内,原子的空间位置也直接影响着高次谐波发射.随着空间内原子坐标的增大,高次谐波的截止得到扩展,且谐波平台区并非单向扩展,而是向两端同时的扩展.通过时频分析和半经典三步模型研究了高次谐波发射的物理机制,并对获得的物理现象给出合理的解释.     

多速率STFT超宽带信号瞬时频率估计研究

提出多速率短时傅里叶变换(Multi Rate Short Time Fourier Transform,MR-STFT)瞬时频率估计算法,提高了超宽带信号瞬时频率估计精度。该方法将多速率信号处理算法与短时傅里叶变换(STFT)技术相结合,兼顾采样频率和被测频率,将宽频范围进行分段采样,对分段处理结果进行拟合,构成多速率STFT算法,实现超宽带信号瞬时频率的高精度测量。论文通过对仿真信号和实测信号进行处理,研究了方法的可行性和频率估计精度,结果表明MR-STFT算法较大提高了超宽带信号瞬时频率估计精度,尤其对低信噪比的超宽带信号效果显著。     

The density wave in a new anisotropic continuum model

In this paper the new continuum traffic flow model proposed by Jiang et al is developed based on an improved car-following model, in which the speed gradient term replaces the density gradient term in the equation of motion. It overcomes the wrong-way travel which exists in many high-order continuum models. Based on the continuum version of car-following model, the condition for stable traffic flow is derived. Nonlinear analysis shows that the density fluctuation in traffic flow induces a variety of density waves. Near the onset of instability, a small disturbance could lead to solitons determined by the Korteweg-de-Vries （KdV） equation, and the soliton solution is derived.     

FDTD Simulation on the Interaction Between Gaussian Beam and Biaxial Anisotropic Metamaterial Slabs

The interaction between Gaussian beam and indefinite anisotropic metamaterial (AMM) slabs are simulated with auxiliary differential equation method in finite-difference time-domain method (FDTD). The directions of wave vector and energy flow densities in three types of AMM slabs are investigated. The field intensity distributions and phases of TE-polarized wave for the interaction between Gaussian beam and AMM slabs are given. Numerical results show that the sign of x component of relative permeability tensor of AMM determines the refraction is regular or anomalous, whereas the sign of z component of relative permeability tensor of AMM determines the energy flow is positively refracted or negatively refracted. Positive or negative Goos-H?nchen shift associated with Total Cutoff media are also shown. This work was supported by National Key Laboratory of Electromagnetic Environment fund (51486030305HT0101) and (9140C08060507ZCZJ18).     

交替惩罚三线性分解算法结合三维荧光光谱法同时分辨和测定酪氨酸、苯丙氨酸和色氨酸

用交替惩罚三线性分解算法(APTLD)结合三维荧光光谱法给出的二维数据对酪氨酸、苯丙氨酸和色氨酸进行了同时定性定量分析,为直接同时测定混合氨基酸中此三种物质提供了一种新的分析方法, 其测定相关系数分别为0.9987,0.9995和0.9993。采用超声波组织细胞破碎法对木槿叶中的氨基酸进行提取,利用APTLD法对提取液中氨基酸进行定量测定,测定相对标准偏差分别为0.84％,0.36％,1.59％, 回收率分别在101.0％～92.7％, 106.5％～93.0％, 103.0％～95.0％之间,方法简洁、快速、准确可靠,结果令人满意。     

纳米Ce1-x(Fe0.5La0.5)xO2-δ固溶体的水热合成及光谱分析

采用水热方法合成Ce1-x(Fe0.5 La0.5)xO2-δ固溶体.利用X射线衍射技术(X-ray diffraction technique,XRD)表征样品的相结构,并对固溶体的晶胞参数进行拟合,通过紫外可见漫反射光谱(UV-Vis diffraction spectrum)及拉曼光谱(Raman spectru...     

Superhydrophobic alumina surface based on stearic acid modification

A novel superhydrophobic alumina surface is fabricated by grafting stearic acid layer onto the porous and roughened aluminum film. The chemical and phase structure, morphology, and the chemical state of the atoms at the superhydrophobic surface were investigated by techniques as FTIR, XRD, FE-SEM, and XPS, respectively. Results show that a super water-repellent surface with a contact angle of 154.2° is generated. The superhydrophobic alumina surface takes on an uneven flowerlike structure with many nanometer-scale hollows distribute in the nipple-shaped protrusions, and which is composed of boehmite crystal and γ-Al₂O₃. Furthermore, the roughened and porous alumina surface is coated with a layer of hydrophobic alkyl chains which come from stearic acid molecules. Therefore, both the roughened structure and the hydrophobic layer endue the alumina surface with the superhydrophobic behavior.     

环形电子束积分图像诊断技术

 采用图像诊断方法对高能环形电子束形状及空间尺寸进行了研究,以高能脉冲环形电子束轰击高Z靶材料产生脉冲X射线,X射线经过X射线增感屏转换为可见光,用单次图像采集系统获取可见光的积分图像。为满足诊断所需的空间分辨和系统灵敏度,通过理论计算确立了靶的材料、厚度及X射线增感屏的型号和厚度等参数。根据测试环境,设计了系统的现场安装结构,系统基本满足测试要求。分析从实验中获取的图像,可知环形电子束的内径为36.5 mm,环厚为1 mm,环形不均匀,水平方向电子束强。     

高压下MgO的热弹性研究

利用第一原理平面波赝势方法和广义梯度近似研究了广泛温度和压强范围内MgO的热弹性特性．MgO从低压NaCl到高压CsCl结构的相变压强为397 GPa，表明它在地球内部不会发生相变．在压强上升到150 GPa时，MgO的绝热弹性模量跟0 GPa时的实验值和其他赝势在高压下的计算结果基本一致．从0 GPa上升到20 GPa时，MgO的各向异性逐渐减小；在20?150 GPa时绝对值逐渐增大．MgO明显地违背了Cauchy条件，反应出非中心多体力是重要的．另外，MgO的热力学参量与实验也符合的很好．