La$_{{1-x}}$Sr$_{x}$TiO$_{3}$ 薄膜的高通量 X 射线衍射

高通量材料合成方法和高通量材料表征手段区别于传统低效率的 "试错法"材料发展方法, 极大地加速了材料科学的变革和发展. 通过设计程序进行了高通量 X 射线衍射实验, 在保证数据分辨率条件下, 高效地表征了 La$_{1-x}$Sr$_{x}$TiO$_{3}$ 薄膜上多个数据位点的晶体结构, 验证了其成分的连续变化性质, 为后续开展更多类型的高通量 X 射线衍射实验提供了指导.     

基于八叉树优化的MoM-PO/PTD混合算法分析目标电磁散射及辐射问题

在综合利用矩量法(method of moments, MoM)和物理光学(physical optics, PO)方法的过程中, 要精准识别和划分PO位置处于点光源照射情况下的暗区和亮区。传统的识别划分手段的时间复杂度为O(N²), 当面片数量N增多时, 所需的时间呈现出急剧增长的趋势。文中应用八叉树和后向追踪算法, 对PO亮区判断过程进行加速, 可将时间复杂度由N²降为NlgN。由于计算PO区域电流时没有考虑边缘绕射造成的影响, 导致计算误差较大。鉴于此, 本文在计算过程中引入物理绕射理论对混合算法加以改进, 并通过与FEKO中的MoM相比较, 说明了修正后的混合算法能够有效提升计算精度。     

Role of humidity on the structures and properties of regenerated silk fibers

Silk fiber was processed from highly concentrated spinning dope to solid fibers along with water removal. To understand the mechanism of water removal during silk fiber spinning process, a microfluidic chip was designed and applied to investigate the structures and mechanical properties of two kinds of regenerated silk fibroin fibers dry-spun at different relative humidity. The experimental results showed that the diameters of the fibers spun at 40% RH are always larger than the fibers spun at 50% RH due to different removal rates of water. The fibers spun at low humidity contain more β-sheet structure and lower degree of chain orientation and crystalline orientation. These results indicate that the fast phase transition of silk fibroin from sol–gel to silk fiber undergoes with rapid water removal and higher fiber orientation relates to more residue water and drawing force.     

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。     

用激光衍射法测量细丝直径简

文中对激光衍射测径法测量细丝直径提出了具体的实现方案,并与普通物理实验中的其他测量细丝直径方法一螺旋测微器法进行结果比对：用激光衍射法测量细丝的直径精度更高,前者为0.000 1 mm,后者为0.001 mm;在单缝衍射实验中,用衍射法测量细丝直径比测量狭缝的宽度对彰显“衍射法测量微小量”更直观.     

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。     

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.     

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.     

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.