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为了研究一种线状高分子材料在另一种高分子基体中熔融断裂后,从椭球变化到球的过程,本文给出了由动态粒子堆积成的密度有涨落椭球体的几何尺寸计算方法,介绍了内坐标与回转半径张量法“扭正”椭球、在椭球体边界上取点、非线性最小二乘法拟合椭球方程三个方面的具体计算方法。本文提出了用27个格子确定边界点的方法。在用耗散粒子动力学模拟椭球体变化到球体的过程中,本文用上述计算方法正确测量了椭球体三个半轴的变化,并用不同密度的体系所得体积值较稳定验证了计算方法的准确性。
In order to study the process of changing a linear polymer material from an ellipsoid to a sphere after melting and breaking in another polymer matrix, Method, three methods for calculating the elliptic spheroid of the internal coordinates and radius of gyration are introduced, and the points on the boundary of the ellipsoid and the nonlinear least-square fitting ellipsoid equations are introduced. In this paper, a method of determining the boundary points with 27 grids is proposed. In the process of simulating the change of ellipsoid to sphere by dissipative particle dynamics, we correctly measure the changes of the three semi-axes of the ellipsoid with the above calculation method and verify the accuracy of the calculation method by using the volume values of different density systems Sex.