Flow physics of normal and abnormal bioprosthetic aortic valves

Flow physics of transvalvular flows in the aorta with bioprosthetic valves are investigated using computational modelling. For the efficient simulations of flow-structure-interaction in transvalvular flows, a simplified, reduced degree of freedom valve model is employed with a sharp interface immersed boundary based incompressible flow solver. Simulations are performed for normal as well as abnormal valves with reduced leaflet motion that models the effect of early leaflet thrombosis. The structure of the aortic jet and the hemodynamic stresses on the aortic wall are analysed to understand the hemodynamic impacts and possible long-term clinical implications of sub-clinical, reduced leaflet motion. The simulation results have shown that the reduced leaflet motion tilts the direction of aortic jet and generates stronger flow separation and re-attachment on the aortic wall downstream from the reduced motion leaflets. The modified flow pattern increases the wall pressure fluctuation and average wall shear stress on the downstream aortic wall, and results in the asymmetric oscillatory shear index distributions, which may have long-term clinical implications such as aortic wall damage and remodelling.     

The mechanism of ethylene polymerization by nickel salicylaldiminato catalysts - Agostic interactions and their kinetic isotope effects

The ethylene polymerization reaction of a neutral nickel catalyst was studied by DFT calculations at the Becke3LYP/6-31G(d) level of theory. As in related cases a β-agostic bond stabilizes the nickel alkyl ground states. Transition states for the insertion of the olefin show a distinct α-agostic interaction, which has not been observed for late metal polymerization catalysts before. An ethylene-alkyl complex was identified as the resting state of the reaction. The overall barrier height of the reaction amounts to 17.54 kcal/mol, which slightly increases to 17.60 kcal/mol for the polymerization of deuterated ethylene. Therefore, a small positive kinetic isotope effect (k_H/k_D = 1.09) can be calculated, which is caused by the α-agostic interaction in the transition state. A comparison to other late metal based polymerization systems reveals that the ethylene coordination step of highly active catalysts is significantly lower in energy compared to catalysts which are only moderately active.     

Scattering of Laser Light from Mixed Micelles

Dynamic and static scattering of light was employed to investigate mixed micelles of two homologous anionic surfactants-sodium octyl sulfate and sodium hexadecyl sulfate, above the phase boundary temperature and critical micelle concentrations (cmc). The results indicate that the mixed micelles change from prolate to sphcrical as the molar ratio SOS/SHS increases from 1 to 8. Below 1 or above 8, the formation of micelles is due to one surfactant dissolving the other.     

西部开发中能源配置模型的研究

开发西部丰富的能源资源,解决东部地区能源紧缺的矛盾,是东西部经济合作、优势互补、东西联动双赢战略研究的一项重要课题.在国家投资主体和市场经济条件下,以能源消费效益最大为目标,建立了基于边际效益均衡的能源空间配置优化模型;兼顾经济效益与环境效益的能源部门配置优化模型.结果显示,各地区、部门要获得更多的能源,就必须提高能源的使用效率,提高能源消费的边际效益,降低污染排放水平.     

On the Boltzmann Equation for Fermi–Dirac Particles with Very Soft Potentials: Averaging Compactness of Weak Solutions

The paper considers macroscopic behavior of a Fermi–Dirac particle system. We prove the L ¹-compactness of velocity averages of weak solutions of the Boltzmann equation for Fermi–Dirac particles in a periodic box with the collision kernel b(cos θ)|ρ−ρ _*|^γ, which corresponds to very soft potentials: −5 < γ ≤ −3 with a weak angular cutoff: ∫₀ ^π b(cos θ)sin ³θ dθ < ∞. Our proof for the averaging compactness is based on the entropy inequality, Hausdorff–Young inequality, the L ^∞-bounds of the solutions, and a specific property of the value-range of the exponent γ. Once such an averaging compactness is proven, the proof of the existence of weak solutions will be relatively easy.     

The one-dimensional Hubbard model for large or infiniteU

The magnetic properties of the one-dimensional Hubbard model with a hardcore interaction on a ring (periodic boundary conditions) are investigated. At finite temperatures it is shown to behave up to exponentially small corrections as a pure paramagnet. An explicit expression for the ground-state degeneracies is derived. The eigenstates of this model are used to perform a perlurbational treatment for large but finite interactions. In first order inU ¹ an effective Hamiltonian for the one-dimensional Hubbard model is derived. It is the Hamiltonian of the one-dimensional Hcisenberg model with antiferromagnetic couplings between nearest neighbor spins. An asymptotic expansion for the ground-state energy is given. The results are valid for arbitrary densities of electrons.     

Theory of high temperature superconductivity in YBa2Cu3O7_δ

A theory of high temperature superconductivity in YBa₂Cu₃O₇__δ compound has been developed on the basis of the momentum pairing of electrons through the relativistic Darwin interaction. The transport behaviour of electrons is explained in terms of a mechanism of correlated electron transfer arising from the electron-phonon coupling. A model Hamiltonian has been developed to describe the superconducting properties of the system. This gives an energy gap which is higher than the BCS value. Attempts have been made to explain the absence of isotope effect, the linear dependence of specific heat, the presence of larger temperature-independent paramagnetism in the normal phase and the softening of some of the optic phonon modes observed in this system.     

关于康托集类光栅的实验探究

设计制作了康托集分形衍射光栅,通过对康托集分形光栅3个阶段的夫琅禾费衍射现象的观察,根据惠更斯-菲涅耳原理,得到了一维康托集分形光栅的夫琅禾费衍射光强分布特性.     

锐钛矿二氧化钛超细纳米晶的三声子互作用

本文通过对粒径为2.2-25.5nm的锐钛矿二氧化钛超细纳米晶在83-293 K温度范围内的变温拉曼光谱的研究,得到了三声子互作用对拉曼频率和线宽的贡献随粒径的变化关系。结果表明锐钛矿二氧化钛超细纳米晶的三声子相互作用随粒径减小而加强。