矩孔夫琅禾费衍射的解析解和数值解

通过对衍射屏透光函数进行二维傅里叶变换和离散型快速傅里叶变换,分别得到矩孔夫琅禾费衍射的光强分布的解析表达式和数值结果。然后借助Matlab软件强大的作图功能实现了两种情况下光强分布的可视化仿真,具体分析了衍射图像随矩形孔径大小的变化情况。最后通过将数值解和解析解直接比较,指出提高数值解图像分辨率保证结果有效可靠的关键性因素是对输入信号进行适当的补零。     

3D光学图像可视化的教学研究

科学计算能实现光学图像的三维可视化,比较于二维图形更能给人直观和立体的感觉。重点介绍三维光学图像可视化实现的计算机实验,科学计算是光学教学必备手段和最佳有效方法,所以对光学图像进行三维可视化的教学研究,在具有革命性变化的人与计算机直接交流过程中,将极大程度地提高教学的工作效率;在正确理解光学原理及规律和计算机实验可以灵活设置可控参数的基础上,能激发学生探索和发现光学世界的奥秘,从而调动学生的学习积极性。     

X射线衍射分析技术课程的实验教学研究

对X射线衍射分析技术课程的实验教学内容及所开设的实验进行了研究与探讨,通过衍射分析系列实验,使学生了解X射线衍射分析技术的应用范围,掌握其基本的表达方式与分析方法,学会正确分析基本的XRD衍射图谱,获得准确的材料结构信息,为学生今后从事材料研究与开发打下坚实的基础。     

Comparison of the accuracy of powder and single-crystal X-ray diffraction techniques in determining organic crystal structure

This study demonstrates the accuracy of pow- der X-ray diffraction （PXRD） in determining the crystal structures of four organic molecules by comparing the structural information obtained from both single-crystal X-ray diffraction （SXRD） and PXRD techniques. Results showed that the PXRD technique had approximately the same precision as the SXRD technique. The majority of the relative deviations from PXRD-derived lattice parameters were within 4-0.2 % of the correct values （average of the SXRD data）, whereas the relative deviations in bond lengths and angles are within 4-1,0 %, All of the relative deviations were subjected to normal statistical distributions （# = 0） and coincided with the SXRD data. As an auxiliary implement of SXRD, PXRD is clearly an effective and powerful technique in establishing an accurate character- ization of organic molecules.     

Compression behavior of Sm）2Ti2O7-pyrochlore up to 50 GPa：single-crystal X-ray diffraction and density functional theory calculations

Single-crystal X-ray diffraction at pressures up to 50 GPa has been employed to study the compression behavior of Sm2Ti2O7-pyrochlore. In contrast to earlier reports, we observed no pressure-induced amorphization or pressure-induced anion disorder up to 50 GPa. The experimental study has been complemented by density functional theory-based calculations. A combination of the theoretical and experimental data yields a bulk modulus of 185 GPa, significantly higher than a value which had been reported earlier. In comparison to earlier work, the current study provides more reliable data due to the use of neon as a pressure medium, which provides a more hydrostatic pressure than the aluminum, which had been employed as a pressure medium in the earlier studies. An analysis of the compressibility of Al2B2O7 pyrochlores shows an approximately linear dependence of the bulk modulus on the unit cell volume.     

夫琅禾费单缝衍射中疑难问题探讨与解析

讨论了夫琅禾费衍射实验中,在普通光源与激光光源照射条件下,如何理解夫琅禾费单缝衍射实验装置的不同,主要从理论及实验实例两方面分析了满足单缝衍射实验装置实现夫琅禾费远场衍射的条件.     

Densification behavior of mechanically milled Cu–8 at% Cr alloy and its mechanical and electrical properties

Synthesis and consolidation behavior of Cu–8 at%Cr alloy powders made by mechanical alloying with elemental Cu and Cr powders,and subsequently,compressive and electrical properties of the consolidated alloys were studied.Solid solubility of Cr in Cu during milling,and subsequent phase transformations during sintering and heat treatment of sintered components were analyzed using X-ray diffraction,scanning electron microscopy and transmission electron microscopy.The milled powders were compacted applying three different pressures(200 MPa,400 MPa and 600 MPa)and sintered in H2atmosphere at 900 1C for 30 min and at 1000 1C for 1 h and 2 h.The maximum densification(92.8%)was achieved for the sample compacted at 600 MPa and sintered for 1000 1C for 2 h.Hardness and densification behavior further increased for the compacts sintered at 900 1C for 30 min after rolling and annealing process.TEM investigation of the sintered compacts revealed the bimodal distribution of Cu grains with nano-sized Cr and Cr2O3precipitation along the grain boundary as well as in grain interior.Pinning of grain boundaries by the precipitates stabilized the fine grain structure in bimodal distribution.     

固体中的原子相关性和Bragg衍射

提出一个描述固体结构的新方法——原子相关性方法。给出原子相关性、相关性基矢、相关性格子及其倒格子的定义,分析对比原子相关性在晶体、准晶和非晶中的不同表现。从原子相关性出发讨论了固体的衍射问题,说明准晶也能产生明锐的Bragg衍射并导出普遍形式的Laue方程。     

晶块尺寸和点阵畸变对铜和铜合金性能影响

采用近似函数法并借助计算机计算,分析引起铜及铜合金Ｘ射线衍射峰物理宽化的微观晶块尺寸和点阵畸变大小,进而分析在纯铜中加入Ａｇ和Ｓｎ等合金元素对其性能产生巨大影响的原因。结果表明,近似函数法是一种简便有效的分析铜合金Ｘ射线衍射峰宽化的方法之一,而合金元素Ａｇ和Ｓｎ等对铜合金性能的影响与其Ｘ射线衍射峰的物理宽化有明显的对应关系。     

高功率激光等离子体冲击波探测中衍射效应的消除

研究光学非接触方法探测高功率激光产生的等离子体和冲击波实验中的衍射现象,运用衍射理论和透镜成像原理,提出让待测区与接收器件成物像共轭关系,以克服衍射效应带来的对等离子体和冲击波测量误差的方法,并从理论上导出：当等离子体区域与相机位置相对于成像透镜满足物像关系时,衍射效应的影响被显著消除,通过激光作用于铝靶的实验结果,验证这一方法的可行性。