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

从1997财年到1999财年，我们在评估材料强度的新的复杂的多尺度方法上进行了三年的合作。从电态到同一凝聚态中的宏观应力场，到目前为止，根据不同的尺度，已经发展出了合适的方法。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。这个项目的目标是通过成员之间的深入开放讨论，找到如何将每种工具联系在一起，以及鼓励哪种方法作为一种未来的方法。1997年的第一次会议在大阪举行，与日本材料科学学会举办的第三届分子动力学研讨会相结合。1998年在斯图加特(德国)马克斯·普朗克研究所举办了第二次讲习班，由马克思-普朗克研究所和大学组织了两次不同的讲习班。斯图加特。上一次会议是1999年在东京举行的日本机械工程师协会(JSME)全国代表大会。每一次会议都由适当的成员和一些该项目的合作研究人员进行报告。每年都会发表一份报告，总结成员撰写的论文。特别是，该项目的一期特刊于1999年12月发表在《材料科学研究国际》(MSRI)上。其中有三篇评论论文和三篇原创论文。值得注意的是，一些审查论文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.