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161.
Optimization of plate buckling resistance is very complicated, because the in-plane stress resultants in the prebuckled state of a plate are functions of thickness distribution. This paper discusses the problem of finding the optimum thickness distribution of isotropic plate structures, with a given volume and layout, that would maximise the buckling load. A simple numerical method using the finite-element analysis is presented to obtain the optimum thickness distribution. Optimum designs of compression-loaded rectangular plates with different boundary conditions and plate aspect ratios are obtained by using the proposed method. Optimum designs from earlier studies and the methods of buckling analysis used to attain these results are discussed and compared with the designs from the proposed method. This paper also examines the reliability of the optimality criterion generally used for plate buckling optimization, which is based on the uniform strain energy density. 相似文献
162.
We carried out molecular dynamics simulations of a Lorentz gas, consisting of a lone hydrogen molecule moving in a sea of stationary argon atoms. A Lennard-Jones form was assumed for the H2-Ar potential. The calculations were performed at a reduced temperatureK
* =kT/H
2–Ar = 4.64 and at reduced densities
*=
Ar
Ar
3
in the range 0.074–0.414. The placement of Ar atoms was assumed to be random rather than dictated by equilibrium considerations. We followed the trajectories of many H2 molecules, each of which is assigned in turn a velocity given by the Maxwell-Boltzmann distribution at the temperature of the simulation. Solving the equations of motion classically, we obtained the translational part of the incoherent dynamic structure factor for the H2 molecule,S
tr(q, ). This was convoluted with the rotational structure factorS
rot(q, ) calculated assuming unhindered rotation to obtain the total structure factorS(q, ). Our results agree well with experimental data on this function obtained by Egelstaffet al. At the highest density (
*=0.414) we studied the dependence ofS(q, ) on system size (number of Ar atoms), number of H2 molecules for which trajectories are generated, and the length of time over which these trajectories are followed. 相似文献
163.
Ph. Choquard B. Piller R. Rentsch P. Vieillefosse 《Journal of statistical physics》1989,55(5-6):1185-1262
We report analytical and numerical studies of surface correlations in finite, homogeneously polarizable, classical Coulomb systems placed in an insulating or conducting environment. Their purpose is to understand the phenomenological, shape-dependent laws of electrostatics, from the point of view of statistical mechanics; we focus on the knowledge of the dielectric susceptibility of the system, a quantity proportional to the equilibrium fluctuation of the system's instantaneous polarization per unit volume. This goal has been achieved for a system in a conducting state. The picture is that the shape-dependent part of the susceptibilities results from the action of unbounded observables (the second moments of the instantaneous polarization of the system) on long-range surface correlations and that the relations of electrostatics are verified by means of shape-dependent thermodynamic limits. This picture is supported (i) by exact solutions and asymptotic analysis of the Debye-Hückel approximation of multicomponent plasmas in disks and spheres with insulating and conducting environment and also in ellipses in a vacuum, and (ii) by computer simulations of a one-component plasma in a disk with different environments, notably a conducting environment with permeable and impermeable wall. These observations have revealed for the first time the reason why the susceptibility of a conducting disk in a conductor with impermeable walls diverges linearly with the radius of the disk: this is due to the occurrence of long-range radial correlations in the conductor. These findings are quantitatively interpreted in terms of a novel canonical Debye-Huckel approximation as contrasted to the ordinary grand canonical version. Lastly a fresh look at the problem of the surface correlations of a conductor in a vacuum, which places the observer close to the surface of the conductor but in the vacuum, is presented and applied to the disk, the ellipse, the cylinder, the sphere, and the wedge. 相似文献
164.
用人工神经网络和多元回归方法对含2个碳的21个卤代化合物的35个化学位移进行计算机图像模拟,结果表明,人工神经网络方法优于多元回归方法,同时此种方法处理这类问题有明显的优势,波谱模拟技术在有机化合物结构解析中是非常有用的方法。 相似文献
165.
Ar—Kr溶液扩散系数的分子动力学模拟及其与温度的关系 总被引:2,自引:1,他引:2
用分子动力学模拟方法研究确定Ar-Kr溶液的自扩散系数D1、D2和互扩散系数D12以及它们随温度变化的规律。结果表明,分别用Green-Kubo法和Einstein法得到的扩散系数在数值上一致;该溶液的3种扩散系数均满足D=D0e^E/RT关系。 相似文献
166.
用统计模拟分光光度法测定复方消咳新片4个组分含量。按均匀设计表制备合成样品,绘制溶液的UV-VIS吸收曲线,获得有限但足够的实验数据,用逐步回归法构造反映该复方制剂组分在灵敏波长的吸光度-组分含量经验关系的“最优”数学模型,用改进单纯形法寻优,求出未知样品的各组分含量。磺胺甲基异恶唑、甲氧苄胺嘧啶、盐酸溴已新、枸橼酸维静宁的回收率分别为1003%、1004%、999%、990%,标准差分别为091%、14%、12%、39%。 相似文献
167.
168.
射流携带床反应器液体停留时间分布及模拟 总被引:1,自引:0,他引:1
对射流携带床液体停留时间分布进行了研究,考察了液体流量、气体流量和气体动量对液体停留时间分布的影响。结果表明,增加液体流量使停留时间分布密度曲线变得高而窄,且平均停留时间变短;气体流量增大使得停留时间出峰略有提前,气体流量大于4L/min时,继续增大气体流量对液体停留时间分布影响较小;当液体流量小于60L/h时,气体动量对液体停留时间的影响较明显,主要表现气体动量越大液体平均停留时间越长。基于实验结果分析及实验中观测的现象,将射流携带床内液体流动结构分为中心区和壁面区进行研究,建立了描述射流携带床内液体停留时间分布的数学模型,模型模拟结果和实验数据吻合良好。 相似文献
169.
Thomas Huber Andrew E. Torda Wilfred F. van Gunsteren 《Journal of computer-aided molecular design》1994,8(6):695-708
Summary The concept of memory has been introduced into a molecular dynamics algorithm. This was done so as to persuade a molecular system to visit new areas of conformational space rather than be confined to a small number of low-energy regions. The method is demonstrated on a simple model system and the 11-residue cyclic peptide cyclosporin A. For comparison, calculations were also performed using simulated temperature annealing and a potential energy annealing scheme. Although the method can only be applied to systems with a small number of degrees of freedom, it offers the chance to generate a multitude of different low-energy structures, where other methods only give a single one or few. This is clearly important in problems such as drug design, where one is interested in the conformational spread of a system. 相似文献
170.
在考虑了沸石分子筛中吸附、脱附、扩散和反应的特点的基础上,发展了一种模拟沸石分子筛中扩菜反应的MonteCarlo方法。用Langmuir吸附等温式验证了该方法的合理性,并证明了轰击频率λ代表了反应物气相压力,而吸附、脱附几率之比即为吸附平衡常数。同时,通过改变轰击频率λ和反应几率Pt,得到了吸附等温线和有效因子随Thiele模数变化的曲线。 相似文献