Hierarchical Estimamtion of Materials Strength by MD Simulations (New Sophisticated Approach)

从1997年到1999年的三年中，我们一直在合作开发用于评估材料强度的新的复杂多尺度方法。范围广泛，从相同凝聚态的电状态到宏观应力场，迄今为止已经开发出了取决于每个尺度的适当方法。例如，从头计算，分子动力学，离散位错动力学和有限元方法都是可用的。该项目的目的是通过成员之间的深入公开讨论，找出如何将各种工具连接在一起，以及作为一种前瞻性方法，什么样的方法受到鼓励。第一次会议于1997年在大坂举行，与日本材料科学学会举办的第三届分子动力学研讨会一起举行。第二次是1998年在斯图加特（德国）马克斯-普朗克研究所举行的，由马克斯-普朗克研究所和斯图加特大学组织了两个不同的讲习班。1999年的最后一次会议是在东京与日本机械工程师协会（JSME）的全国代表大会举行的。每次会议由适当的成员和一些合作的研究人员组成，每年出版一份报告，总结成员撰写的论文。特别是，该项目的特刊于12月出版，1999年在国际材料科学研究所（MSRI）。里面有三篇评论论文和三篇原创论文。值得注意的是，一些审查文件是由成员内部的联合小组撰写的。

We've been collaborating on new sophisticated multiscale methodology for the evaluations of materials strength for three years, from the fiscal year of 1997 to 1999. Ranging widely from the electric states to the macroscopic stress field in the same condensed matters, appropriate methodologies dependent on each scale have so far been developed. For example, ab-initio calculations, molecular dynamics, discrete dislocation dynamics and finite element method are all available. The goal of this project was to find how to link each tool together and what kind of approach was much encouraged as a prospective method through the deep open discussions between members.The first meeting in 1997 was held in Osaka joining with the 3rd Molecular Dynamics Symposium organized by the Society of Materials Science, Japan. The second in 1998 was held in Stuttgart (Germany) Max-Planck Institute with two different workshops organized by the Max-Planck Institute and Univ. of Stuttgart. And the last meeting in 1999 was held in Tokyo with the National Congress of the Japan Society of Mechanical Engineers (JSME). Each meeting consisted of presentations by the proper members plus some cooperative researchers of this project.A report summarized papers written by the members has been published each year. Especially, a special issue for this project was published in Dec., 1999 in the Materials Science Research International (MSRI). Three review papers and three original papers were in it . It is worth noting that some of review papers were written by the joint group within members.