Methyl torsional potentials of rotational isomers of m-methylanisole studied by spectral hole-burning spectroscopy

Laser-induced fluorescence (LIF) excitation spectra of m-methylanisole in a supersonic jet were measured. Two series of progressions were observed in the spectrum, originating at 36048 and 36115 cm⁻¹, which were successfully assigned to the transitions to the methyl internal rotational vibronic levels of the two isomers, i.e. cis and trans isomers, with the aid of hole-burning spectrum measurements and quantum-chemical calculations. The progression for the trans isomer was observed up to the 6a₁ band, while only the 3a₁ band in addition to the 0a₁ and 1e bands was observed for the cis isomer. This finding can be explained by the conformational change upon the electronic excitation; the 60° rotation of the methyl torsional angle takes place for the trans isomer but not for the cis isomer.     

Surfactants having polyfluoroalkyl chains. II. Syntheses of anionic surfactants having two polyfluoroalkyl chains including a trifluoromethyl group at each tail and their flocculation-redispersion ability for dispersed magnetite particles in water

Anionic surfactants having two polyfluoroalkyl chains per molecule, i.e. the sodium salt of bis(1H, 1H, 2H,2H-heptadeca-fluorodecyl)-2-sulfosuccinate, CF₃(CF₂)₇(CH₂)₂OCOCH₂CH(SO₃Na)COO(CH₂)₂(CF₂)₇CF₃, the sodium salt of bis(1H, 1H, 2H, 2H-tridecafluoro-octyl)-2-sulfosuccinate, CF₃(CF₂)₅(CH₂)₂OCOCH₂CH(SO₃Na)COO(CH₂)₂(CF₂)₅CF₃, and the sodium salt of bis(1H, 1H, 2H, 2H-nonafluorohexyl)-2-sulfosuccinate, CF₃(CF₂)₃(CH₂)₂OCOCH₂CH(SO₃Na)COO(CH₂)₂(CF₂)₃CF₃, have been prepared from maleic anhydride, the corresponding alcohols possessing a polyfluoroalkyl chain and sodium hydrogen sulfite. The flocculation and redispersion abilities of these surfactants for dispersed magnetic particles in water have been examined to investigate the effect of the chain length. It was found that this ability was enhanced by an increase in the chain length. The contact angles for water for pelleted surface-modified magnetite have been measured. In order to compare this ability and the contact angles, data for other fluorinated surfactant have been obtained. The Kraff point, the surface tension and the pNa of the aqueous surfactant solutions have also been measured.     

Conductivity anomalies in Y–Ba–Cu–O at 40K and 100K under high quasihydrostatic pressures

Electrical resistance measurements at low temperatures and high quasihydrostatic pressures on superconducting and non-superconducting varieties of Y_0.8Ba_1.2Cu₂O₅ (obtained by annealing in oxygen and air respectively) show striking anomalies in the vicinity of 100K and 40K. Arguments are presented to show that these anomalies as also the occurrence of T 's in the oxide superconductors either in the vicinity of 100K or of 40K are connected with their layered structure containing planes of Cu-O otahedral complexes.     

Mechanical properties and thermal conductivity of the twisted graphene nanoribbons

Molecular dynamics method was used to simulate the twists of four GNRs (graphene nanoribbons), two AGNRs (armchair GNRs), and two ZGNRs (zigzag GNRs). Thermal conductivity of the length-fixing GNRs under torsion and at high temperature was calculated. It is found that the ZGNRs have better torsional rigidity than the AGNRs; under the torsional deformation of 34.2°/nm local buckling occurs in the length-fixing GNRs, and under the deformation of 22.8°/nm overall buckling occurs in the ones with free-length. In the range of investigated twist-angle and temperature, the thermal conductivity of the length-fixing GNRs decreases with the increase of torsional deformation and temperature. The wider GNRs have better anti-torsion capability and thermal conductivity.     

Crystal planes and reciprocal space in Clifford geometric algebra

This paper discusses the geometry of kD crystal cells given by (k+ 1) points in a projective space ?^{n+ 1}. We show how the concepts of barycentric and fractional (crystallographic) coordinates, reciprocal vectors and dual representation are related (and geometrically interpreted) in the projective geometric algebra Cl(?^{n+ 1}) (see (Die Ausdehnungslehre von 1844 und die Geom. Anal. Teubner: Leipzig, 1894)) and in the conformal algebra Cl(?^{n+ 1, 1}). The crystallographic notions of d‐spacing, phase angle, structure factors, conditions for Bragg reflections, and the interfacial angles of crystal planes are obtained in the same context. Copyright © 2011 John Wiley & Sons, Ltd.     

铸型尼龙端面扭动与滑动摩擦学行为研究

为研究端面扭动摩擦特性,研制了端面扭动摩擦特性测量装置,进行了玻璃纤维增强铸型尼龙（MC尼龙）复合材料与45#钢在123 N法向载荷下的扭动与滑动摩擦学试验,扭动角位移幅值为60°和90°,使用扫描电镜观察MC尼龙复合材料磨损表面形貌,采用光学显微镜观察45#钢偶副表面转移膜形貌.结果表明：扭动摩擦的扭矩-角位移（T-θ）曲线随着循环次数的增加保持平行四边形,而摩擦扭矩随之升高;扭动状态下的摩擦系数高于滑动摩擦系数,扭动磨损后MC尼龙试样质量增加;滑动状态下的磨损机理主要为塑性变形和疲劳磨损,扭动状态下的磨损机理为更为严重的黏着磨损和疲劳磨损;滑动摩擦状态下,45#钢偶副表面形成了大面积连续的转移膜,扭动状态下,45#钢偶副表面只在接触中心区域有少量条块状转移物质.     

水平圆管中受压扭作用管桩屈曲后的解析解

首先建立了考虑自重、受水平圆管约束的管柱在压担组合作用下的屈曲方程：此方程为四阶强非线性常微分方程，难以直接精确求解；通过管柱的正弦屈由分析，找到了方程中的小参数；利用小参数摄动法求解了强非线性屈曲方程，得到了管柱螺旋屈曲后的实际屈曲构形解析解，由此可进一步得到管柱发生螺旋屈曲的临界载荷；所得解析结果与数值计算结果及本文结果退化后与文献中的相关结果比较都有良好的一致性．     

细观等效理论预测再生混凝土宏观力学参数北大核心CSCD

预测分析再生混凝土各组分对再生混凝土宏观力学参数的影响是开展再生混凝土基本力学性能的一种方式.为了分析再生混凝土各组分对再生混凝土宏观力学参数的影响,根据再生混凝土的细观结构组成,建立了细观等效模型,利用扭转变形、细观夹杂理论、弹性等效思想和M-T模型方法,推导了由原生骨料、老界面层、老水泥砂浆、新界面层和新水泥砂浆等组成的再生混凝土的宏观力学参数预测模型.预测结果表明,随着再生骨料的取代率增加,水泥砂浆的含量不断增加,再生混凝土孔隙率也随之增大,导致再生混凝土的Poisson比随之增大,弹性模量、剪切模量和体积模量不断降低.模型的预测结果较好地反映了再生混凝土宏观力学参数随再生骨料取代率的增加不断变化的这一趋势,也为再生混凝土宏观力学参数的预测提供了一条简单实用的新方法,有利于再生混凝土基本力学性能的研究分析.     

(n,n)-(2n, 0)碳纳米管异质结的扭转力学特性

相近直径的锯齿型和扶手椅型碳纳米管可以共轴组合形成5-7碳环交替出现的柱形对称异质结. 本文利用分子动力学方法研究了直径相近且等长锯齿型和扶手椅型碳纳米管形成的(n, n)-(2n, 0)结在扭转过程中的扭矩和轴向应力随扭转角度的变化规律以及应力传递过程. 研究发现, (n, n)-(2n, 0)结扭转应变在达弹性限度内不会产生轴向应力, 该效应对基于碳纳米管扭转特性的纳米振荡器件的设计具有重要意义.