Integration of Internationally Distributed KB/DB on Material

本计画是一个透过电脑网路智慧整合不同电脑资源于材料设计的范例，以产生一个“虚拟实验室”。虚拟实验室是一个计算环境，我们可以通过计算机网络共享不同层次的信息，解决方案，材料设计，材料选择，工件的维护，生命周期评估和许多未来的问题。在这个项目中，材料设计的基本思想是准备窗口，限制每个设计要求的解决方案，并最好涵盖材料的复杂性和多样性。已经提出了几种方法，即第一原理方法，结构图方法，功能图，机理图和一组生产规则描述的材料开发经验序列。在集成过程中，需要快速有效地管理数据的增长、合并和浏览 ...更多信息 ials信息。此外，识别重要的外在关系的方法将成为强制性的，以提取每个设计问题的本质关系。所有的可能性，可能准备诱人的计算环境的材料设计进行评估，并作为一组核心节点，我们选择了一个库的第一性原理和计算数据的元素，以预测电子结构的不同材料，晶体学数据库，潜在的数据库，微观结构数据库和材料性能数据库。在原子间相互作用势的推导和计算活动中，说明了如何将不同结构层之间的数据和知识联系起来。该过程显示了不同知识库之间的相互作用，以阐明适当的抽象/参数化，从而提高材料设计中的可预测性和计算效率。不同数据和知识集成后的大问题涉及收集信息的质量。为了处理这个问题，浏览器的时间和空间开发作为一个原型，如何获取知识，通过重新缩放，重新安排和模式匹配的分类进行了讨论，并部分实现作为系统。这个问题变得严重，在处理动态微观结构的变化和时间和空间的基本概念进行了分析，并考虑到规范的原型系统。少

This project is a proposal to generate a "virtual laboratory" by showing an exemplar of intelligent integration of different computerized resources for materials design through computer network. This exemplar of virtual laboratory is an computational environment where we can share different levels of information for solution, materials design, materials selection, maintenance of artifacts, life cycle assessment and many future issues through computer networks.The basic idea of materials design in this project is to prepare windows which confine solutions for each design requirement and preferably covers the materials complexity and diversity. Several approaches have been proposed, namely, first principles approaches, structure map approaches, functional maps, mechanism maps and sequences of material development experiences described by a set of production rules. In the process of integration methods will be needed to quickly and efficiently manage the growth, merge and perusal of mater … More ials information. Furthermore, methods to identify extrinsic relations of significance will become mandatory to extract essential relations for each design problem.All the possibilities that may prepare seductive computational environments for materials design are evaluated and as a set of core nodes for it, we select a library for first principles and calculated data of elements to predict electronical structures for different materials, crystallographic data bases, potential databases, microstructural databases and materials properties databases. How to connect data and knowledge between different structural layrs are illustrated in the activity of deriving and evaluating of interatomic potentials. This procedure shows the interactions between different knowledge bases to articulate suitable abstraction/parameterization to increase a predictability as well as an efficiency of calculation in materials design.The big issue that comes after integration of different data and knowledge concerns the quality of collected information. In order to deal with this issue browsers with respect to time and space is developed as a prototype, where how to acquire knowledge through rescaling, rearrangement and pattern matching for classification is discussed and partly implemented as as system. This issue becomes serious in dealing with dynamic microstructural changes and basic concepts on time and space are analyzed and taken into accounts for a specification of the prototype system. Less