添加剂与RDX的界面作用及对撞击感度的影响研究

研究了石蜡、硬脂酸等添加剂与RDX的界面作用及其对撞击感度的影响。得出添加剂对RDX(Hexogen)的铺展系数越大,钝感效果越好的结论,并获得了铺展系数与特性落高的经验函数关系。     

基于轴角转换器的一种高精度动态测角系统

设计了一种基于轴角转换器AD2S80的高精度感应同步器动态测角系统，分析了测角误差产生原因，提出了误差调整和补偿措施。通过实例数据表明：用谐波分析的方法对测角误差进行了调整与补偿，从而可大幅度提高测角精度。     

Cross fitted partial least squares (CF‐PLS): an alternative algorithm for a more reliable PLS

This paper presents a modified version of the NIPALS algorithm for PLS regression with one single response variable. This version, denoted a CF‐PLS, provides significant advantages over the standard PLS. First of all, it strongly reduces the over‐fit of the regression. Secondly, R² for the null hypothesis follows a Beta distribution only function of the number of observations, which allows the use of a probabilistic framework to test the validity of a component. Thirdly, the models generated with CF‐PLS have comparable if not better prediction ability than the models fitted with NIPALS. Finally, the scores and loadings of the CF‐PLS are directly related to the R², which makes the model and its interpretation more reliable. Copyright © 2011 John Wiley & Sons, Ltd.     

A study of the precision and accuracy of peak quantification in comprehensive two-dimensional liquid chromatography in time

Simulated chromatographic data were used to determine the precision and accuracy in the estimation of peak volumes (i.e., peak sizes) in comprehensive two-dimensional liquid chromatography in time (LC × LC). Peak volumes were determined both by summing the areas in the second dimension chromatograms and by fitting the second dimension areas to a Gaussian peak. The Gaussian method is better at predicting the peak volume than the moments method provided there are at least three second dimension injections above the limit of detection (LOD). However, when only two of the second dimension signals are substantially above baseline, the accuracy and precision of the Gaussian fit method become quite poor because the results from the fitting algorithm become indeterminate. Based on simulations in which the modulation ratio (M_R = 4¹σ/t_s) and sampling phase (?) were varied, we conclude for well-resolved peaks that the optimum precision in peak volumes in 2D separations will be obtained when the M_R is between two and five, such that there are typically four to ten second dimension peaks recorded over the eight σ width of the first dimension peak. This sampling rate is similar to that suggested by the Murphy–Schure–Foley criterion. This provides an RSD of approximately 2% for the signal-to-noise ratio used in the present simulations. The precision of the peak volume of experimental data was also assessed, and RSD values were in the range of 4–5%. We conclude that the poorer precision found in the LC × LC experimental data as compared to LC may be due to experimental imprecision in sampling the effluent from the first dimension column.     

用第一性原理方法获取周期体系中原子的部分电荷

利用量子化学软件包Crystal计算了立方周期性边界条件下液态水体系的静电势(ESP)和静电场(EF).在此基础上,提出了一种由第一性原理方法获取周期体系中原子的部分电荷的快捷方法.该方法把由周期性边界条件引入的平均静电势准mean作为一个拟合参数,通过对第一性原理静电势与Ewald加和法静电势的最小二乘法拟合而实现.值得说明的是,比较静电势与静电场拟合方法,前者的相对拟合误差仅为2%-3%,比后者小一个数量级.考察了四种电荷限制条件下,静电势、静电场拟合的水分子原子部分电荷及偶极矩的分布情况.     

子孔径拼接干涉检测离轴非球面研究

将子孔径拼接技术与干涉技术相结合提出了一种新的检测离轴非球面的方法,该方法无需其他辅助光学元件就可以实现对大口径、离轴非球面的测量.对其基本原理进行了分析和研究;并基于齐次坐标变换、最小二乘拟合建立了综合优化和误差均化的拼接数学模型;开发了子孔径拼接检测非球面的算法软件,并设计和搭建了子孔径拼接干涉检测装置;利用综合优...     

PN结伏安特性的实验研究

介绍了验证PN结伏安关系特性实验的实验原理,并利用绘图软件Origin7.5对实验数据进行处理.结果表明,PN结的扩散电流和两端的正向电压之间满足指数关系.通过与理论公式的比较,准确地测出了玻尔兹曼常数.     

Determining the optimum wavelength pairs to use for molecular absorption thermometry based on the continuous-spectral lower-state energy

A novel technique for selecting wavelengths that optimize the temperature precision of absorption-based thermometry is developed. A single universal objective function considering continuous spectral lower-state energy , spectral absorbance intensities and an experimental noise level is derived and applied in a brute-force approach to analyze two-wavelength, Doppler-broadened H₂O vapor-absorbance thermometry in the 1.33-1.37 μm range. The results reveal the top wavelength pairs and their temperature precisions over a wide temperature range from 280 to 2800 K. Although the spectral database used includes over thousands of transitions in this spectral range, the top pairs are composed of only 12 unique wavelengths. This wavelength selection technique is able to help researchers choose key wavelengths that will perform well in practical applications.     

高功率激光装置打靶精度测试技术

 多路激光打靶精度在惯性约束聚变实验中起着至关重要的作用,提出了基于X光针孔相机的激光打靶精度测试方法。根据显微镜读取的靶平面坐标系的靶孔中心坐标及打多孔靶后X光针孔相机所记录的靶孔中心坐标,建立靶平面坐标系和X光针孔相机坐标系之间的转换关系;通过打焦斑靶,建立焦斑模板,采用套模板的方法,读取X光针孔相机坐标系中焦斑中心坐标;由靶平面坐标系和X光针孔相机坐标系之间的转换关系,求出靶平面坐标系中焦斑中心坐标,计算得到激光打靶精度,分析打靶精度测试结果的不确定度,从而给出多路激光打靶精度测量技术和方法。