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耗散粒子动力学的优化修正Velocity Verlet算法 被引量：10

Optimized modified Velocity Verlet algorithm for dissipative particle dynamics simulations
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摘要 在Groot和Warren耗散粒子动力学的修正VelocityVerlet算法的基础上引入优化方法获得一个简单的计算λ的表达式,提出一种自洽获取该值的优化修正VelocityVerlet算法.模拟结果表明,这种通过优化来获得参数的修正VerlocityVerler算法具有运算量小、温度稳定的优点,可以在耗散粒子动力学模拟中使用. A self-consistent optimized method for the parameter λ in the modified Velocity Verlet algorithm for dissipative particle dynamics simulation developed by Groot and Warren was obtained. The simulation results showed that the optimized modified Velocity Verier algorithm had very good temperature stability and low computation time cost in dissipative particle dynamics simulations.
作者 冯剑 刘洪来 胡英
机构地区 华东理工大学化学系
出处 《化工学报》 EI CAS CSCD 北大核心 2006年第8期1841-1847,共7页 CIESC Journal
基金 国家自然科学基金项目(20490200) 上海市教委E研究院上海高校网格项目(200303) 上海市科委重大基础研究项目(05DJ14002).~~
关键词 耗散粒子动力学 修正Velocity Verlet算法 优化 dissipative particle dynmics modified Velocity Verlet algorithm optimization
分类号 TQ019 [化学工程]
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参考文献33

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二级参考文献43

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共引文献23

同被引文献72

引证文献10

二级引证文献35

化工学报
2006年 第8期

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