排序方式: 共有9条查询结果,搜索用时 31 毫秒
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采用基于原子镶嵌势函数的分子动力学方法, 模拟了银纳米线沿[100]、[110]和[111]晶向拉伸过程中的空间原子结构和性能. 研究结果表明不同晶向的材料力学性质有显著不同, 屈服应力按照[111]、[110]和[100]依次降低. 从形变位图观察到纳米线在断裂前形成单原子线排列. 由900个分子动力学模拟样本统计得出沿三个晶向形成单原子线的几率, 其中沿[111]晶向形成单原子线的几率明显高于其他两个晶向. 本文从形变机理阐述了单原子线生成几率与晶向的依赖关系. 相似文献
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A 30-MeV femto-second electron linac is built at the Shanghai Institute of Applied Physics, which can produce high power, coherent THz undulator radiation. We report the experimental facility and measurement of the power, frequency spectrum. First experiments show the averaged power at THz to be about 20mW. 相似文献
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The generation and observation of coherent THz synchrotron radiation from femtosecond electron bunches in the Shanghai Institute of Applied Physics femtosecond accelerator device is reported. We describe the experiment setup and present the first result of THz radiation properties such as power and spectrum. 相似文献
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BAI Yue-Fei YUAN Lei WANG Li-Juan GAO Jian WANG Zhi-Qiang WANG Xiao-Fei SUN Tie-Min 《结构化学》2012,31(2):205-210
The halogenated hydrocarbon amination reaction between the original raw material N-((6-bromo-2-methoxyquinolin-3-yl)(phenyl)methyl)-3-chloro-N-(1-adamantyl) propanamide and dimethylamine hydrochloride produces the target molecule N-((6-bromo-2-methoxyquinolin-3- yl)(phenyl)methyl)-N-(1-adamantyl)-3-(dimethylamino) propanamide (C32H38BrN3O2, Mr = 576.56), and its structure was confirmed by elemental analysis, IR, 1H NMR, MS, and X-ray diffraction. This crystal is of monoclinic system, space group P21/c with a = 10.760(5), b = 14.768(5), c = 19.635(5), β = 113.969(16)°, V = 2851.0(18)3, Z = 4, Dc = 1.343 g/cm3, F(000) = 1208, μ(MoKα) = 1.475 mm-1, the final R = 0.0645 and wR = 0.2039. In total, 4681 independent reflections including 3164 observed ones with I > 2σ(I) were collected. The dihedral angle between substituted quinolyl and phenyl is 64.0°. Through C-H···O, C-H···N and C-H···Br weak hydrogen bonds among molecules, the whole molecule is stacked into a three-dimensional structure. The optimized geometric bond lengths and bond angles obtained by using density functional theory (DFT) have been compared with X-ray diffraction values. In addition, the preliminary biological test showed that the title compound has anti-Mycobacterium phlei 1180 activity. 相似文献
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LIN Xu-Ling ZHANG Jian-Bing LUO Feng BEI Hua LU Shan-Liang YU Tie-Min DAI Zhi-Min 《中国物理C(英文版)》2009,33(10)
Based on the femtosecond accelerator device which was built at the Shanghai Institute of Applied Physics (SINAP), recently a modified far infrared Michelson interferometer has been developed to measure the length of electron bunches via the optical autocorrelation method.Compared with our former normal Michelson interferometer, we use a hollow retroreflector instead of a flat mirror as the reflective mirror.The experimental setup and results of the bunch length measurement will be described in this paper. 相似文献
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The halogenated hydrocarbon amination reaction between the original raw mate-rial N-((6-bromine-2-methoxylquinoline-3-yl)benzyl)-3-chlorine-N-(naphthalene-1-yl)propionamide and morpholine produces the target molecule N-((6-bromine-2-methoxylquinoline-3-yl)benzyl)-3-morpholine-N-(naphthalene-1-yl)propionamide (C34H32BrN3O3,Mr=610.54),and its structure was characterized by 1H NMR,IR,H RMS and X-ray single-crystal diffraction.This crystal is of triclinic system,space group P1 with a=9.315(2),b=10.3449(12),c=15.901(3),α=80.981(14),β=76.996(17),γ=74.917(13)°,V=1433.6(5)3,Z=2,Dc=1.414 g/cm3,F(000)= 632,μ(MoKα)=1.47 mm-1,the final R=0.0735 and wR=0.2457.In total,5585 independent reflections including 3727 observed ones with I 2σ(I) were collected.The dihedral angle between naphthyl and substituted quinolyl and that between phenyl and substituted quinolyl are 61.2(1) and 108.2(1)°,respectively.Through C-H…O and C-H…N hydrogen bonds among molecules,the whole molecule is stacked into a three-dimensional structure.In addition,π-π stacking among adjacent naphthalene rings makes the molecule more stable,and the morpholine ring adopts a chair conformation.The target molecule exhibits good antibacterial activity. 相似文献
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Yue-Fei Bai Lei Yuan Yu Chen Li-Juan Wang Chao Wang Tie-Min Sun 《Journal of chemical crystallography》2012,42(4):318-322
Abstract
The title compound, C25H21BrN2O3, was synthesized and structurally characterized by elemental analysis, IR, MS, 1H NMR and single crystal X-ray diffraction. The crystal is of orthorhombic system, space group Pbca with a = 11.706(2) ?, b = 18.038(4) ?, c = 20.369(4) ?, α = 90.00°, β = 90.00°, γ = 90.00°, V = 4301.0(15) ?3, Z = 8, Dc = 1.474 g/cm3, F (000) = 1952.0, μ(MoKα) = 1.941 mm−1, the final R 1 = 0.0670 and wR 2 = 0.2319 for reflections with I > 2σ(I). The crystal structure is stabilized by un-classical hydrogen-bonding C–H···O forming a three-dimensional network. The optimized geometric bond lengths and bond angles obtained by using density functional theory have been compared with X-ray diffraction values. In addition, the preliminary biological test showed that the title compound had anti-Mycobacterium phlei 1180 activity. 相似文献
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