METHOD FOR CREATING MOLECULAR MODEL THAT IMPROVES DYNAMIC ISOTROPY IN MOLECULAR MODEL OF CROSSLINKED RUBBER, AND APPARATUS FOR PERFORMING THE SAME

PROBLEM TO BE SOLVED: To provide a molecular model of crosslinked rubber which is created in a predetermined procedure, in which occurrence of anisotropy of dynamic properties is suppressed.SOLUTION: The method includes: a step of generating crosslinking agent particles at predetermined coordinates; a step of generating polymer particles between a predetermined pair of the crosslinking agent particles generated previously; a step of generating a predetermined chemical bond between the crosslinking agent particle and polymer particle, and polymer particles located in a predetermined bonding distance region from each of the above particles; and a step of creating a molecular model by performing balancing in a structure model obtained in the step of generating the chemical bond, at a predetermined pressure and temperature. Further, the step of generating the crosslinking agent particles includes a step of arranging the crosslinking agent particles in an equally distributed manner spatially over the orthogonal three-axis directions.SELECTED DRAWING: Figure 2 【課題】所定の手順で作成される架橋ゴムの分子モデルにおいて、力学特性の異方性の発生を抑える。【解決手段】方法は、所定の座標にて架橋剤粒子を発生させるステップと、前記発生させた架橋剤粒子の所定のペアの間に高分子粒子を発生するステップと、架橋剤粒子および高分子粒子とそれらの各々から所定の結合距離範囲にある高分子粒子との間に所定の化学結合を生成するステップと、及び前記化学結合を生成するステップにて得られる構造モデルにて、所定の圧力及び温度下で平衡化して分子モデルを作成するステップと含む。前記架橋剤粒子を発生させるステップが、空間的に直交三軸方向に偏り無く架橋剤粒子を配置するステップを含む。【選択図】図２