不同倾角的脉管制冷机内自然对流影响的研究

本文通过对脉管内自然对流的数值模拟，讨论了当脉管冷端处在不同方向时，脉管内的自然对流对脉管制冷机性能的影响．数值模拟结果表明，当冷端在下时获得的制冷温度最低；当热端在下并与重力方向成３０°时制冷温度最高．结论与实验测量结果定性一致．所做的理论分析对实现脉管制冷机的良好运行有指导意义。     

基于遗传禁忌算法的双资源约束下并行生产线调度研究

并行生产线调度问题兼有并行机器和流程车间调度问题的特点,是一类新型的调度问题。在考虑遗传算法早熟收敛特性和禁忌搜索法自适应优点的基础上,将遗传算法和禁忌搜索法结合起来,提出了基于遗传算法和禁忌搜索算法的双资源并行作业车间的调度优化问题算法,即考虑到了产品的调度受到机器、工人等资源制约的影响,对算法中种群的构造,适应度计算,遗传操作等方面进行了研究,最后给出了实例仿真和结论。     

The stress driven instability in elastic crystals: Mathematical models and physical manifestations

Summary Equilibrium equations and stability conditions for the simple deformable elastic body are derived by means of considering a minimum of the static energy principle. The energy is supposed to be sum of the volume (elastic) and the surface terms. The ability to change relative positions of different material particles is taken into account, and appropriate natural definitions of the first and second variations of the energy are introduced and calculated explicitly. Considering the case of negligible magnitude of the surface tension, we establish that an equilibrium state of a nonhydrostatically stressed simple elastic body (of any physically reasonable elastic energy potential and of any symmetry) possessing any small smooth part of free surface is always unstable with respect to relative transfer of the material particles along the surface. Surface tension suppresses the mentioned instability with respect to sufficiently short disturbances of the boundary surface and thus can probably provide local smoothness of the equilibrium shape of the crystal. We derive explicit formulas for critical wavelength for the simplest models of the internal and surface energies and for the simplest equilibrium configurations. We also formulate the simplest problem of mathematical physics, revealing peculiarities and difficulties of the problem of equilibrium shape of elastic crystals, and discuss possible manifestations of the above-mentioned instability in the problems of crystal growth, materials science, fracture, physical chemistry, and low-temperature physics.     

Interval parameter perturbation method for evaluating the bounds on natural frequencies of structures with interval parameters

For structural parameters with uncertainties, interval mathematics can, in the case where the probabilistic distribution density of uncertain variables is unavailable, deal with the influence of uncertainties in structural parameters on the response of structures. In order to evaluate the region containing natural frequencies of structures with interval parameters, the interval parameter perturbation method is presented in this paper. The advantage of the present method is its computational efficiency in evaluating the region containing natural frequencies. A numerical example is used to illustrate the efficiency of the method proposed. The project is supported by National Youth Natural Science Foundation of China and National Outstanding Youth Science Foundation of China.     

Re_2(edt)_4的电子结构和电子吸收光谱的从头算研究

用密度泛函理论中的B3LYP/CEP-4G方法对Re2（edt）4进行了结构优化和自然键轨道计算,并用单电子激发组态相互作用方法（CIS）计算了Re2（edt）4的分子轨道和激发态。结果表明Re-Re之间不存在明显的三重键,进而很好地解释了Re2（edt）4分子的电子吸收光谱。     

Stereoselective synthesis of cis-p-menth-8-ene-1,7-diol, cis-p-menthane-1,7-diol, and cis-p-menthane-1,7,8-triol

The natural products cis-p-menthane-1,7-diol (cis-IV), cis-p-menth-8-ene-1,7-diol (cis-I) and cis-p-menthane-1,7,8-triol (cis-II) are obtained starting from the corresponding cis-cyanohydrins, cis-2 and cis-7, respectively, by chemical transformation of the cyano into the hydroxymethyl group. The key step of the synthesis is the very high cis-selectivity (> or = 96 %) of the MeHNL-catalyzed HCN addition to 4-alkylcyclohexanones. From 4-isopropylcyclohexanone (1) the cyanohydrin cis-2 and from 4-(1-methylvinyl)cyclohexanone (6) the cyanohydrin cis-7 result almost quantitatively. Regioselective hydroxylation of cis-I affords the triol cis-II. X-ray crystal structure determinations of the final products confirm their cis-configuration.     

集化学家与化学教育家于一身的一代化学大师李比希--纪念李比希诞辰200周年

在德国著名化学家李比希诞辰200周年之际，对这位集化学家与化学教育家于一身的一代化学大师对科学和科学教育以及人类社会作出的贡献进行了评述。