二氧化碳分子离子经由Ã2Πu1/2电子态振动能级共振的光解动力学：一项时间切片离子速度成像技术研究

We report on the photodissociation dynamics of CO₂⁺ via its òΠ_u,1/2 state using the scheme of [1+1] photon excitation that is intermediated by the mode-selected òΠ_u,1/2( u1,u2,0) vibronic states. Photodissociation fragment exciation spectrum and images of photofragment CO⁺ have been measured to obtain reaction dynamics parameters such as the available energy and the average translational energy. Combining with the potential energy functions of CO₂⁺, the dissociation mechanism of CO₂⁺ is discussed. The conformational variation of CO₂⁺ from linear to bent on the photodissociation dynamics of CO₂⁺ is verified.     

第一性原理对(NaP_3)_n(n=1～5)团簇的几何结构和性质的研究

本文采用第一性原理研究了(NaP_3)_n(n=1~5)团簇的几何结构、能隙、电荷分布以及态密度.研究结果表明:NaP_3团簇为线型结构,是(NaP_3)_n(n=1~5)团簇中的基本单元,随着n增大,团簇转变为环状结构和空间结构;(NaP_3)_3团簇的能隙出现峰值,表明该团簇较其他团簇有较高的稳定性;(NaP_3)_3团簇中对于高能量区域的态密度是由Na 3s和P 3p轨道贡献,其中在费米附近的能量主要由P 3p轨道贡献,对于低能量区域的态密度主要由Na 3s轨道贡献;(NaP_3)_n(n=1~5)团簇中的Na原子电荷分布均为正值,表明电荷总体上是从Na原子转移到P原子.     

Nanoscale surface of carbon nanotube fibers for medical applications: Structure and chemistry revealed by TOF-SIMS analysis

Surface structure and related chemistry understanding is a vital element in the design of high biocompatible materials since adsorption and adhesion of biological components are involved. These features are even more important in the case of nanostructured materials such as carbon nanotubes (CNTs) fibers. In our preliminary work we synthesised CNTs based fibers for medical applications. This new hybrid system combines polyvinyl alcohol (PVA) with CNTs and polylactic-co-glycolic acid (PLGA), a biodegradable copolymer. The surface properties of this material are investigated in order to guarantee a biocompatible response. Time-of-flight secondary ion mass spectrometry (TOF-SIMS) was found to be an ideal tool for fiber characterisation owing to its capacity to provide chemical specificity combined with detection limits beyond the reach of techniques previously used. Complementary morphological information is provided by atomic force microscopy (AFM). The corroboration of both data enables us to define the chemistry and structure of this new formulation.     

Analysis of cardiac tissue by gold cluster ion bombardment

Specific molecules in cardiac tissue of spontaneously hypertensive rats are studied by using time-of-flight secondary ion mass spectrometry (TOF-SIMS). The investigation determines phospholipids, cholesterol, fatty acids and their fragments in the cardiac tissue, with special focus on cardiolipin. Cardiolipin is a unique phospholipid typical for cardiomyocyte mitochondrial membrane and its decrease is involved in pathologic conditions. In the positive polarity, the fragments of phosphatydilcholine are observed in the mass region of 700-850 u. Peaks over mass 1400 u correspond to intact and cationized molecules of cardiolipin. In animal tissue, cardiolipin contains of almost exclusively 18 carbon fatty acids, mostly linoleic acid. Linoleic acid at 279 u, other fatty acids, and phosphatidylglycerol fragments, as precursors of cardiolipin synthesis, are identified in the negative polarity. These data demonstrate that SIMS technique along with Au₃⁺ cluster primary ion beam is a good tool for detection of higher mass biomolecules providing approximately 10 times higher yield in comparison with Au⁺.     

Magnetic properties of multiwalled carbon nanotubes as a function of acid treatment

We investigate the electronic properties of multiwalled carbon nanotubes both before and after acid treatment with concentrated sulphuric and nitric acids. Magnetic susceptibility measurements were performed using a SQUID magnetometer and show that there is a considerable enhancement in the density of states at the Fermi level. The data shows that the diamagnetic influence from the graphitic nanotubes dominates. We experimentally observe, after acid treatment, that the diamagnetic susceptibility remains unchanged at 5 K but notably decreases at 77 K. We propose the acid treatment has increased the Van Vleck paramagnetic contribution lowering the diamagnetic response from the π-electron orbital magnetisation. The Van Vleck paramagnetic contribution is finite-temperature dependent with a diminishing contribution at higher fields.     

An investigation of phase separation by magnetic force microscopy in La0.45Sr0.55MnO3-δ(δ≈0.01)

We have found phase separation in La_0.45Sr_0.55MnO_3-δ (LSMO) by means of electron spin resonance, magnetic force microscopy (MFM) and magnetic measurements. Ferromagnetic and antiferromagnetic phases can coexist at low temperatures, and ferromagnetic and paramagnetic phases coexist when the temperature lies between the Néel and Curie temperatures. The size and shape of the ferromagnetic phases (the minority phases) was first observed directly from MFM images. It is suggested that the phase separation in LSMO is not the charge segregation type, but an electroneutral type due perhaps to the nonuniform distribution of oxygen vacancies.     

Ultrafast dynamics in the excited hydrogen atom transfer states of ammonia clusters

Neutral ammonia clusters (NH₃)_m are photo-excited to the electronic state by a deep UV femtosecond laser pump pulse. Within a few hundred femtoseconds a significant fraction of the clusters rearrange to form an H-transfer state (NH₃)_m-2NH₄(3s)NH₂ with the subunit NH₄ in its 3s electronic ground state. This state is then electronically excited by a time-delayed infrared control pulse of variable wavelength. Finally, a third (probe) pulse in the UV ionizes the clusters for detection. The lifetime of the excited (NH₃)_m-2NH₄(3p)NH₂ states is found to vary between 2.7 and 0.13 ps depending on cluster size and excitation energy. It increases drastically upon deuteration. The corresponding cluster size-dependent photoelectron spectra allow us to disentangle the underlying energetics of the excitation and ionization process and reveal additional processes, such as nonresonant ionization or dissociative ionization. The experimental findings suggest that the excited H-transfer ammonia complexes with m > 2 are deactivated by an internal conversion process back to the electronically lowest H-transfer state followed by fast dissociation. Received 22 September 2001 and Received in final form 31 January 2002     

Early transient responses of multi-span stepped single-walled carbon nanotubes using the method of reverberation ray matrix

The early transient responses of multi-span stepped single walled carbon nanotubes (SWCNTs) under impact loadings are studied by the method of reverberation ray matrix (MRRM). The dynamics model of the carbon nanotubes is established in the Fourier phase space on the basis of the nonlocal Timoshenko beam model. The wave solutions of SWCNTs with arbitrary boundary conditions are obtained by the wave method. The reverberation ray matrix of the multi-span stepped SWCNTs is the product of scattering, phase and permutation matrices, which can be determined by the impact loadings, continuous conditions and boundary conditions. The early transient responses can be calculated by the inverse Fourier transform of the sum of initial ray groups. It can be found that the early transient displacement response in the very short time subjected to the impact loading is very small, while the transient transverse shear strain becomes large in the very short time. The influences of nanotubes span number, nanotubes type and boundary conditions on the early transient responses of multi-span stepped SWCNTs are investigated.     

Intermediate Energy Pion-20Ne Elastic Scattering in the α+16O Model of 20Ne

We present an analysis of π-²⁰Ne elastic scattering at intermediate energy basing on the α+¹⁶O model of the ²⁰Ne nucleus and in the framework of Glauber multiple scattering theory. Satisfactory agreement with the general features of the experimental data of pion elastic scattering on the neighboring 4N-type nuclei is obtained without any free parameters. Compared with the experimental angular distributions of pion elastic scattering on ¹²C, ¹⁶O, ²⁴Mg, and ²⁸Si nuclei, the diffractive patterns and the positions of the dips and peaks in the angular distributions of π-²⁰Ne elastic scattering are reasonably predicted by the calculations.     

Metastable fluid flow described via a discrete-velocity coagulation-fragmentation model

A discrete-velocity Boltzmann model is introduced. It is based on two principles: (i) clusters of particles move in ³ with seven fixed momenta; (ii) clusters may gain or lose particles according to the rules of Becker-Döring cluster equations. The model provides a kinetic representation of evaporation and condensation. The model is used to obtain macroscopic fluid equations which are valid into the metastable fluid regime, , where is any positive number, is the inelastic Knudsen number, and _s is the saturation density.