仿真模拟技术在建筑材料实验教学中的应用

利用仿真模拟技术,研制了基于Windows平台,采用模块化结构的建筑材料模拟仿真实验教学系统．该系统由原理规范、实验演示、模拟实验和测试习题等部分组成,具备部分替代实物实验、某些方面超过实物实验的功能．试用表明,仿真实验教学系统与实物实验互相配合,可提高实验教学的效果,缓解当前建筑材料实验教学的困境．     

Multiple-site ligand binding to flexible macromolecules: Separation of global and local conformational change and an iterative mobile clustering approach

This article concerns the calculation of equilibria of ligand binding to multiple sites in macromolecules in the presence of conformational flexibility and conformation-dependent interaction among the sites. A formulation of this problem is presented in which global conformational changes are distinguished from conformational changes that are confined to “locally flexible regions.” The formalism is quite general in that ligands of different types, multivalent binding sites, tautomeric binding sites, and sites that bind more than one type of ligand can be accommodated. Strictly speaking, the separation of the conformational problem into global and local parts does not impose any loss of generality, although in practice it is necessary to restrict the number of global and local conformers. Because of the combinatorics of binding and conformational states, the computational complexity of a problem having only local conformational flexibility grows exponentially with the number of sites and the number of locally flexible regions. An iterative mobile clustering method for cutting off this exponential growth and obtaining approximate solutions with low computational cost is presented and tested. In this method, a binding site is selected, and a “cluster” of strongly interacting sites is set up around it; within the cluster, the binding and conformational states are fully enumerated, whereas the influences of sites outside the cluster on the sites inside are treated by a mean field approximation. The procedure then moves to the next site around which another (possibly overlapping) cluster is formed and the calculation is repeated. The procedure iterates through the list of sites in this way, using the results of previous iterations for the mean-field terms of current iterations until a convergence criterion is met. The method is tested on a large set of randomly generated problems of varying size, whose geometries are chosen to have protein-like statistical properties. It is found that the method is accurate and rapid with the computational cost scaling linearly to quadratically with the number of sites, except for a minority of cases in which large clusters occur by chance. The new method is more accurate than a Monte Carlo method, and may be faster or slower depending on the clustering criteria and details of the macromolecule. ©1999 John Wiley & Sons, Inc. J Comput Chem 20: 1091–1111, 1999     

地震激励下参数不确定结构重叠分散保性能控制

对参数不确定结构振动控制方法进行了研究。基于包含原理,采用重叠分散控制策略与保性能控制算法相结合的方法,将高层建筑结构划分成一组子结构,对每一个子结构采用保性能控制方法设计控制器,提出了参数不确定结构重叠分散保性能控制方法,较好地解决了地震激励下参数不确定建筑结构的振动控制问题。以20层Benchmark结构模型为研究对象,采用重叠分散保性能控制策略和集中保性能控制策略进行数值模拟。结果表明,对于结构系统建模存在误差或系统本身存在不确定性的情况,本文提出的重叠分散保性能控制方法均能有效降低结构的地震响应,且能够保证控制系统的可靠性和稳定性。     

地下爆炸冲击波引起的基底滑移隔震建筑的动力响应

对埋置在土体中的圆形衬砌内发生意外爆炸引起的附近地表的滑移隔震建筑 (考虑了土 结构相互作用 )的动力响应进行了研究。在土 结构相互作用分析中 ,分别采用有限元、无穷元和集中质点体系建立了衬砌周围的有限土区、四周的无限土区以及基底滑移隔震建筑的计算模型 ;在基底滑移隔震分析中 ,提出了用连续摩擦力模型取代传统的库仑摩擦力模型 ,避免跟踪啮合滑移的过渡边界并可减小计算误差。通过数值模拟 6层基底滑移隔震建筑在遭受地下爆炸冲击波作用且考虑土 结构相互作用所产生的动力响应 ,分析了基底滑移隔震效果以及不同隔震参数对隔震效果的影响 ,为相关的理论研究和工程实践提供了依据。     

Growth Mechanism of Metal–Organic Frameworks: Insights into the Nucleation by Employing a Step‐by‐Step Route

One step at a time : The in situ monitoring of the step‐by‐step formation of metal–organic frameworks (MOFs) by using surface plasmon resonance (SPR), allows the nucleation process and the formation of the secondary building units to be investigated. Growth rates on functionalized organic surfaces with different crystallographic orientations can also be studied.

     

Computational representations of architectural design for tall buildings

Building design process is a significantly complex procedure taking into account many different factors and variables, such as the site context, environment, material availability, cost, and function. One of the most complex forms in the built environment is tall building because of the scale, design considerations, and multidisciplinary nature. This article discusses development of ontological model for understanding, presenting, relating, and managing knowledge influencing architectural design of tall buildings. Ontology is a knowledge‐based model that represents certain domain by abstraction of concepts, and a network of relationships and properties describing these concepts. By creating an architectural ontology, the factors, relations, and characteristics in the design process can be clearly defined and presented. The model incorporates physical systems such as structure, building elements, and geometry, as well as environmental effects, social aspects and other complex attributes. © 2009 Wiley Periodicals, Inc. Complexity, 2009     

地震作用下高层建筑结构的分散模糊迭代学习控制研究

针对地震作用下高层建筑结构的模糊半主动振动控制方法进行研究,引入分散控制的策略,将模糊逻辑理论与迭代学习控制算法原理相结合,提出分散模糊迭代学习控制DFILC（Decentralized Fuzzy Iterative Learnin gContr01）算法,并应用于高层结构地震反应振动控制中。对某20层钢结构Benchmark结构模型进行数值计算与分析,结果表明,采用分散控制策略的DFILC算法可以有效地抑制结构地震反应,相对于集中控制的单一失效分散控制系统的可靠性更强且数据实时处理效率大为提高;同时,模糊逻辑理论的运用解决了模型的不确定性和外扰的非线性。     

基于持续集成的软件度量

软件度量是针对软件开发项目、过程及产品进行数据定义、收集和分析的持续度量化过程;持续集成工具上的的构建工程每天自动完成从版本库更新代码、静态检查、编译、出包、自动化用例测试等任务,在进行集成构建的过程中可以为软件度量提供多种相关的度量数据;结合工作实践,叙述了基于持续集成的软件度量的原理;软件度量管理涉及到的角色;软件度量实现过程;叙述了基于持续集成的两种类型的软件度量指标的定义以及提取方法;最后详细叙述了在软件度量过程中遇到的几个典型案例;工作实践表明在软件的开发过程中做好软件度量工作有助于软件开发部门控制、预测、和改进软件产品的质量与软件开发过程;从而提高软件质量和软件开发效率,降低软件开发成本。     

钼尾矿制备建筑陶瓷及性能研究

以固体废弃物钼尾矿为主要原料,辅以适量的粘土与石英,制备出了建筑陶瓷砖,并研究了不同烧成温度、保温时间对陶瓷砖性能的影响.结果表明,以钼尾矿为主要原料,采用压制成型法,在烧成温度1165 ℃、保温时间120 min条件下,可制备出抗折强度为46.85 MPa、吸水率为0.43;、体积密度为2.23 g/cm3的高性能陶瓷砖.以钼尾矿为原料制备建筑陶瓷砖,将固体废弃物转化为一种产品,形成一个闭合的产品生产链,可消耗大量的工业固体废弃物,减少其对环境的污染,具有良好的环保效益.