首页 | 本学科首页   官方微博 | 高级检索  
     

动态粒子组成的椭球体的几何尺寸计算方法
引用本文:刘勇,杨小震,李霆.动态粒子组成的椭球体的几何尺寸计算方法[J].计算机与应用化学,2004,21(5):655-658.
作者姓名:刘勇  杨小震  李霆
作者单位:中国科学院化学研究所,分子科学中心,高分子物理与化学国家重点实验室,北京,100080
基金项目:国家自然科学基金,863高技术项目以及重大基础研究重点基金(G1999064800)
摘    要: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。

关 键 词:椭球体  计算方法  耗散粒子动力学(DPD)  非线性最小二乘法  模拟
文章编号:1001-4160(2004)05-655-658

Geometry computation of ellipsoidal drop constructed by dynamic particles
LIU Yong YANG XiaoZhen and LI Ting.Geometry computation of ellipsoidal drop constructed by dynamic particles[J].Computers and Applied Chemistry,2004,21(5):655-658.
Authors:LIU Yong YANG XiaoZhen and LI Ting
Abstract:When heating up a polymer as an extended thread embedded in another immiscible polymer matrix the thread will break up,become ellipsoidal drops,and further retract to be sphere shape.Such phenomenon has received much attention in recent years.In thepresent study,inertial tension calculation in coordinate transition,setting up the way of determination of the ellipsoidal surface,andnonlinear least square fitting ellipsoid equation were reported.The article presents a method of 27-cell locating the boundary point.Inthe simulation of ellipsoidal drop retraction using dissipative particle dynamics(DPD),the right dimension of ellipsoid was gotten usingthe said computation method,the conserve ellipsoid volume of different density system shows the method is accurate.
Keywords:ellipsoidal drop  computing methods  dissipative particle dynamics-DPD  non-linear least square method  simulation  
本文献已被 CNKI 维普 万方数据 等数据库收录!
设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号