To enable efficient and economical designing and manufacture by applying the molecule simulation method for materials constituting a single microstructure and obtained physicochemical properties of the material to the homogenizing method, and thus determining properties of a micro nonhomogeneous material and analyzing the behavior of the structure.
The elastic properties of quartz and mica as rock-forming mineral of granite are found by applying a molecular dynamic method thereto, the result of molecular dynamics is applied as dynamic characteristics of the rock-forming mineral of the granite to take a homogenization analysis. The values of microstress of respective constituent substances are compared with the strength values of the respective constituent substances obtained by the molecular simulation method to evaluate the safety on a microlevel. When a specific safety rate can not be secured, the molecule components of the constituent substances are changed to find properties of substances having larger strength by the molecular simulation method, recalculation is carried out by taking a homogenization analysis again or changing the geometric shapes of the constituent substances, and the calculation is repeated until the specific safety rate is obtained.
Kawamura, Yuko
Ichikawa, Yasuaki