基于模糊数学的计算机性能评价和销售预测的研究

根据模糊数学理论,运用模糊意见集中评价和模糊综合评价方法,计算机性能评价和销售预测进行研究,为评价差别不是很明显和含有多种因素的事物,提供了科学有效的方法.     

线弹性有限元的自适应加密与多重网格法求解

基于Ｚｉｅｎｋｉｅｗｉｃｚ－Ｚｈｕ误差估计方法，自适应策略以及分子表结构，研制出功能强大的自适应多重网格有限元程序。该程序可对任意曲线组成的计算区域进行全局与局部加密。以应力集中问题为例，展示了自适应多重网格有限元的主要特征。研究结果表明：本文采用的误差枯计方法，自适应策略对线弹性问题的有效的，自适应多重网格有限元求解应力集中问题具有精度高，收敛速度快的优点。     

Statistical mechanics of warm and cold unfolding in proteins

We present a statistical mechanics treatment of the stability of globular proteins which takes explicitly into account the coupling between the protein and water degrees of freedom. This allows us to describe both the cold and the warm unfolding, thus qualitatively reproducing the known thermodynamics of proteins. Received: 19 March 1998 / Revised and Accepted: 25 May 1998     

Thermodynamic and surface properties of Sb-Sn and In-Sn liquid alloys

The thermodynamic properties of Sb-Sn and In-Sn liquid alloys have been studied using the quasi-chemical model for compound forming binary alloys and that for simple regular alloys. The concentration fluctuation S _cc(0) and the Warren-Cowley short-range order parameter (α ₁) were determined for the whole concentration range at a temperature of 770 K. The surface tensions of these liquid alloys were determined for the whole concentration range by using energetics determined from thermodynamic calculations. In all calculations, In-Sn manifested properties very close to alloys of ideal mixing, while Sb-Sn showed properties that are asymmetric about equiatomic composition. Our results suggest that a weak complex of the form SbSn₂ could be present in the Sb-Sn alloy at a temperature of about 770 K.     

横向爆炸载荷下开孔弹性板的应力集中

基于ANSYS 7.0/LS-DYNA程序,对3 m×3 m四边简支、厚度为0.025 m、中心开有0.3 m×0.3 m方孔的弹性板,在下三角爆炸载荷作用下的应力响应进行了分析;利用能量密度时间分布函数(TDFED)确定了动应力集中因子,重点讨论了时间步长和采样时间间隔对计算结果的影响。     

管流与环缝入流的管内合流特性──等温浓度场与紊流特性实验研究

在对管流与环缝入流的管内合流特性完成等温速度场实验研究的基础上，以对应一致的实验条件，实测了时均浓度分布，紊流正应力和紊流切应力分布．结果证明：浓度分布有与速度分布相一致的变化趋势和规律，但合流后截面上浓度均匀化比速度均匀化慢；合流动量相交产生附加雷诺应力，并决定合流后速度分布和浓度分布的均匀化进程．为建立系统的化学反应流动规律提供基础．     

能耗率极值原理和重力理论交互作用下粗质颗粒的浓度垂线分布

本文同时运用能耗率极值原理和重力理论研究了固液两相流在粗质颗粒时固相浓度的垂线分布,通过探讨能耗率极值原理对“非单向性”作用问题,进一步揭示了两相流运动的机理。计算结果与实测数据有较好的吻合。其研究方法、原理、步骤也极易推广到其它各种粒径的固相。     

MONTE CARLO STUDY ON THE CRITICAL ADSORPTION POINT OF BOND-FLUCTUATED POLYMER CHAINS TETHERED ON ADSORBING SURFACES

 The behavior of three-dimensional bond fluctuation model chains tethered on an adsorbing flat surface was simulated by the Monte Carlo method. The dependence of the number of surface contacts M on the interaction strength e and the chain length N was investigated by a finite-size scaling law M = N[a₀ + a₁N^1/v_k + O((N ^1/v_k)²)] for e near the critical adsorption point e_c, i.e., k ≡(e-e_c)/e_c closes to 0. The critical adsorption point was estimated to be e_c = 0.93, and the exponents  = 0.49 and 1/v= 0.57.     

Do intramolecular halogen bonds exist? Ab initio calculations and crystal structures’ evidences

Cl···O intramolecular contacts are analysed here. Hence the Cambridge Structural Database (CSD) search was performed to find five-membered Cl–C=C–C=O pseudo-rings closed through Cl···O intramolecular contacts. Such rings were analysed and it was found that some of Cl···O distances are smaller than the corresponding sum of van der Waals radii. Additionally ab initio MP2/6-311++G(d,p) calculations and AIM analyses were carried out here on 3-chloropropenal and its fluoro derivatives to deepen the nature of intramolecular Cl···O interactions, some of findings may indicate that they are attractive and stabilizing ones. This paper is dedicated to Prof. T. M. Krygowski on the occasion of his 70th birthday