• CN:11-2187/TH
  • ISSN:0577-6686

›› 2010, Vol. 46 ›› Issue (14): 143-153.

• 论文 • 上一篇    下一篇

微纳米尺度上含DNA分子流体传输规律的多尺度算法研究进展

罗筱薇;石泳;朱恂;廖强   

  1. 重庆大学工程热物理研究所
  • 发布日期:2010-07-20

Advances in the Study on the Micro/Nanoscale Transport of DNA Molecule Fluids by Using Multi-scale Algorithm

LUO Xiaowei;SHI Yong;ZHU Xun;LIAO Qiang   

  1. Institute of Engineering Thermophysics, Chongqing University
  • Published:2010-07-20

摘要: 微纳米尺度上含DNA分子流体的传输特性研究对生物微流体机械装置的设计和优化至关重要。DNA分子在流体中的运动和变形以及与周围流体的相互作用是一个耦合的、复杂的多尺度问题。由于普适的理论解缺乏,数值模拟作为一种可行且经济的技术路线现正被广泛地使用于这类问题的基础研究和各种生物微流体机械装置的实际设计及应用中。综合评述现代数值计算在模拟微纳米尺度上含DNA分子流体传输这类复杂多尺度问题上的主要进展。介绍目前模拟中广泛使用的DNA分子的聚合物链模型,重点探讨相关分子动力学方法模拟以及基于该方法的各种主要的多尺度算法发展近况。分析模拟DNA分子动力行为及周围流体传输时,存在的技术难题和相应的新发展。

关键词: DNA分子, 多尺度算法, 聚合物链, 微/纳流体机械

Abstract: Understanding the transport of DNA molecule fluids at the micro/nanoscale is very important to the design and optimization of micro/nano fluid mechanical devices. The movement and deformation of DNA molecules and their interactions with surrounding fluid is a coupling and complex multi-scale problem. Due to lack of universal theoretical solution, numerical simulation, as a viable and economical technical route, is widely used in the fundamental studies of this kind of problem and in the practical design and application of various bio-micro/nano fluid mechanical devices. The major progress of multi-scale simulations of the micro/nanoscale transport of DNA molecule fluids in modern numerical research is reviewed. Several polymer chain models of DNA molecules now widely used in simulation are briefly introduced, and then recent development of the molecular dynamics (MD) method and other MD-based multi-scale algorithms are discussed; in particular, the new improvements and existing limitations of these algorithms are fully analyzed when they are applied to simulations of the dynamic behavior of DNA molecules and of the transfer of surrounding fluid.

Key words: DNA molecule, Micro/Nano fluid machinery, Multi-scale algorithm, Polymer chain

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