| 摘要 |
PROBLEM TO BE SOLVED: To efficiently create a polymer material model in a short period of time. SOLUTION: A method includes the steps of: S1 connecting monomer models modeled from a polymer material, monomer, in numbers equal to a molecular weight between entanglement points of the polymer material and setting a unit models of a polymer chain wherein factitious reaction sites have been defined for the monomer models at both ends; S2 relaxing a structure of the unit model to set a random coil-like unit model; S3 arranging a plurality of unit models in a space to set a first polymer material model; S4 relaxing a structure of the first polymer material model and making adjacent two reaction sites combine the unit models getting closer to each other at a predetermined distance or below to grow into a polymer chain model; and S5 stopping the growth step in S4 when an average molecular weight of the polymer chain model contained in the polymer material model becomes almost equal to the average molecular weight of the analytical object polymer material. COPYRIGHT: (C)2011,JPO&INPIT |
