Examining different NEMD methods in simulating nanoscale fluid at high shear rates

X. Yong; L. T. Zhang

首页> 外文期刊>Proceedings of the Institution of Mechanical Engineers, Part N. Journal of Nanoengineering and Nanosystems >Examining different NEMD methods in simulating nanoscale fluid at high shear rates

【24h】

Examining different NEMD methods in simulating nanoscale fluid at high shear rates

机译：Examining different NEMD methods in simulating nanoscale fluid at high shear rates

获取原文

获取原文并翻译 | 示例

掌桥外文数据库（机构版） >>

开具论文收录证明 >>

文献代查 >>

页面导航

摘要
著录项
相关主题

摘要

In this paper, the non-Newtonian behaviour of a simple fluid is simulated via three different non-equilibrium molecular dynamics (NEMD) algorithms: boundary-driven shear; homogeneous shear; and reverse-NEMD (RNEMD). The pros and cons of each approach are discussed and results are compared. It is found that the accessible shear rate is very limited when using boundary-driven shear and RNEMD, whereas homogeneous shear is capable of imposing a substantially higher shear rate. However, the boundary-driven shear reproduces rheological experiment setups and the RNEMD yields much better statistically calculated properties. The material functions, velocity profiles, and microstructures of the fluid are examined and the formations of fluid structures are elucidated. The homogeneous shear is shown to be the most appropriate NEMD method to simulate fluids under strong shear, with the smallest number of limitations.

著录项

来源
《Proceedings of the Institution of Mechanical Engineers, Part N. Journal of Nanoengineering and Nanosystems》 |2010年第2期|19-29|共11页
作者
X. Yong; L. T. Zhang;
展开▼
作者单位

Department of Mechanical, Aerospace and Nuclear Engineering, Rensselaer Polytechnic Institute;

展开▼
收录信息
原文格式 PDF
正文语种英语
中图分类机械、仪表工业;
关键词
Non-equilibrium molecular dynamics; Nanofluidics; Rheology; Fluid structure;

Examining different NEMD methods in simulating nanoscale fluid at high shear rates

摘要

著录项

相关主题

期刊订阅