激光喷丸改善TC6钛合金组织和力学性能

为了使激光冲击强化技术能较好地应用于TC6钛合金的发动机叶片,对TC6钛合金进行试验研究。通过X射线衍射仪、透射电子显微镜等测试技术分析了不同参数下TC6钛合金的微观组织变化,用显微硬度计和残余应力测试仪分别表征表层硬度和残余应力变化,并测试材料冲击后的振动高周疲劳性能。试验结果表明:激光冲击材料后表面组织得到明显细化,随着冲击次数的增加,先后出现了高密度位错、位错胞、亚晶和纳米晶。性能方面,表面硬度在冲击一次即可提高19%,硬度影响深度达到700 m;与此同时表面残余应力最高达到-608.5 MPa,在500 m深度上仍具有-100 MPa左右的应力存在。经三次冲击后,标准疲劳试片的疲劳极限提高近20%。     

Lack of self-averaging in neutral evolution of proteins

We simulate neutral evolution of proteins imposing conservation of the thermodynamic stability of the native state in the framework of an effective model of folding thermodynamics. This procedure generates evolutionary trajectories in sequence space which share two universal features for all of the examined proteins. First, the number of neutral mutations fluctuates broadly from one sequence to another, leading to a non-Poissonian substitution process. Second, the number of neutral mutations displays strong correlations along the trajectory, thus causing the breakdown of self-averaging of the resulting evolutionary substitution process.     

Modelling temperature and concentration dependent solid/liquid interfacial energies

Models for the prediction of the solid/liquid interfacial energy in pure substances and binary alloys, respectively, are reviewed and extended regarding the temperature and concentration dependence of the required thermodynamic entities. A CALPHAD-type thermodynamic database is used to introduce temperature and concentration dependent melting enthalpies and entropies for multicomponent alloys in the temperature range between liquidus and solidus. Several suitable models are extended and employed to calculate the temperature and concentration dependent interfacial energy for Al–FCC with their respective liquids and compared with experimental data.     

双耦合B类激光器的混沌动力学行为

提出并研究了双耦合Ｂ类激光器的动力学行为。发现该系统可在稳定连续、自脉冲和混沌输出。还发现该系统是以倍周期分岔由周期解进入混沌。     

形态变换在模式识别中的应用

首先讨论数学形态学中的击中与否变换应用于模式识别，然后对击中与否变换进行改进，并应用于多目标识别（探测）系统，增加了识别（探测）的容错性。结果表明，只要结构元素选取得当，这种方法是可行的。     

Random-phase approximation correlation methods for molecules and solids

Random-phase approximation (RPA) correlation methods based on Kohn–Sham density-functional theory and Hartree–Fock are derived using the adiabatic-connection fluctuation dissipation theorem. It is shown that the correlation energy within the adiabatic-connection fluctuation-dissipation theorem is exact in a Kohn–Sham framework while for Hartree–Fock reference states this is not the case. This shows that Kohn–Sham reference states are probably better suited to describe electron correlation for use in RPA methods than Hartree–Fock reference states. Both, Kohn–Sham and Hartree–Fock RPA methods are related to each other both by comparing the underlying correlation functionals and numerically through the comparison of total energies and reaction energies for a set of small organic molecules.     

Interplay of charge, spin, orbital and lattice correlations in colossal magnetoresistance manganites

We derive a realistic microscopic model for doped colossal magnetoresistance manganites, which includes the dynamics of charge, spin, orbital and lattice degrees of freedom on a quantum mechanical level. The model respects the SU(2) spin symmetry and the full multiplet structure of the manganese ions within the cubic lattice. Concentrating on the hole doped domain ( 0≤x≤0.5) we study the influence of the electron-lattice interaction on spin and orbital correlations by means of exact diagonalisation techniques. We find that the lattice can cause a considerable suppression of the coupling between spin and orbital degrees of freedom and show how changes in the magnetic correlations are reflected in dynamic phonon correlations. In addition, our calculation gives detailed insights into orbital correlations and demonstrates the possibility of complex orbital states. Received 4 September 2002 / Received in final form 8 November 2002 Published online 31 December 2002     

Numerical study of a stochastic particle algorithm solving a multidimensional population balance model for high shear granulation

This paper is concerned with computational aspects of a multidimensional population balance model of a wet granulation process. Wet granulation is a manufacturing method to form composite particles, granules, from small particles and binders. A detailed numerical study of a stochastic particle algorithm for the solution of a five-dimensional population balance model for wet granulation is presented. Each particle consists of two types of solids (containing pores) and of external and internal liquid (located in the pores). Several transformations of particles are considered, including coalescence, compaction and breakage. A convergence study is performed with respect to the parameter that determines the number of numerical particles. Averaged properties of the system are computed. In addition, the ensemble is subdivided into practically relevant size classes and analysed with respect to the amount of mass and the particle porosity in each class. These results illustrate the importance of the multidimensional approach. Finally, the kinetic equation corresponding to the stochastic model is discussed.     

GSI experiments on synthesis and nuclear structure investigations of the heaviest nuclei

Isotopes of elements up to Z = 113 have been synthesized using medium heavy projectiles and target nuclei around doubly magic ²⁰⁸Pb. Synthesis of still heavier elements in reactions of ⁴⁸Ca projectiles with actinide target nuclei has been reported. To obtain more information about production mechanism of transfermium isotopes nuclear reaction studies including investigations of massive transfer were resumed at SHIP, GSI. Nuclear structure investigations at SHIP have been concentrated so far mainly on systematic investigations of low lying Nilsson levels in odd-mass nuclei. Recently this field has been extended to decay studies of isomeric states in nobelium nuclei at E^* > 1 MeV.     

High-order harmonic generation enhanced by XUV light

The combination of high-order harmonic generation (HHG) with resonant XUV excitation of a core electron into the transient valence vacancy that is created in the course of the HHG process is investigated theoretically. In this setup, the first electron performs a HHG three-step process, whereas the second electron Rabi flops between the core and the valence vacancy. The modified HHG spectrum due to recombination with the valence and the core is determined and analyzed for krypton on the 3d→4p resonance in the ion. We assume an 800?nm laser with an intensity of about 10(14)?W/cm2 and XUV radiation from the Free Electron Laser in Hamburg (FLASH) with an intensity in the range 10(13)-10(16)W cm2. Our prediction opens perspectives for nonlinear XUV physics, attosecond x rays, and HHG-based spectroscopy involving core orbitals.