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

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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.