A study on boundary force model used in multiscale simulations with non-periodic boundary condition
文献类型：期刊论文
| 作者 | Zhou, W. J.1; Luan, H. B.2; He, Y. L.1; Sun, J.3; Tao, W. Q.1 |
| 刊名 | MICROFLUIDICS AND NANOFLUIDICS
 |
| 出版日期 | 2014-03-01 |
| 卷号 | 16期号:3页码:587-595 |
| 关键词 | Multiscale simulation Finite volume method Molecular dynamics simulation Non-periodic boundary condition Boundary force |
| 英文摘要 | This paper presents an investigation of the non-periodic boundary condition (NPBC) which is often used in multiscale atomistic-continuum simulations. The relationship between the boundary force exerted by the imaginary atoms outside the atomistic domain and the fluid state parameters including density and temperature at the boundary is studied. A fitting formula of the boundary force as a function of the fluid state has been proposed based on the relationship. The accuracy of the fitting formula is verified by the equilibrium molecular dynamics (MD) simulations. Poiseuille flow with viscous dissipation and unsteady heat transfer between two walls is then simulated using the proposed fitting formula. The elimination of density oscillation near the boundary of atomistic region and good agreement of velocity and temperature evolutions with time from pure MD and the multiscale simulations adopting NPBC further confirm the correctness of our fitting formula. |
| WOS标题词 | Science & Technology ; Technology ; Physical Sciences |
| 类目[WOS] | Nanoscience & Nanotechnology ; Instruments & Instrumentation ; Physics, Fluids & Plasmas |
| 研究领域[WOS] | Science & Technology - Other Topics ; Instruments & Instrumentation ; Physics |
| 关键词[WOS] | DENSE FLUID-FLOWS ; MOLECULAR-DYNAMICS ; HEAT-TRANSFER ; CONTINUUM ; SURFACE ; EXPRESSION |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000332615900014 |
| 公开日期 | 2015-12-22 |
| 源URL | [http://ir.etp.ac.cn/handle/311046/106078]  |
| 专题 | 工程热物理研究所_中国科学院工程热物理所（论文库）_期刊论文（SCI） |
| 作者单位 | 1.Xi An Jiao Tong Univ, Sch Energy & Power Engn, Key Lab Thermofluid Sci & Engn MOE, Xian 710049, Shaanxi, Peoples R China 2.Shanghai Marine Diesel Engine Res Inst, Shanghai 201108, Peoples R China 3.Chinese Acad Sci, Inst Engn Thermophys, Beijing 100190, Peoples R China |
| 推荐引用方式 GB/T 7714 | Zhou, W. J.,Luan, H. B.,He, Y. L.,et al. A study on boundary force model used in multiscale simulations with non-periodic boundary condition[J]. MICROFLUIDICS AND NANOFLUIDICS,2014,16(3):587-595. |
| APA | Zhou, W. J.,Luan, H. B.,He, Y. L.,Sun, J.,&Tao, W. Q..(2014).A study on boundary force model used in multiscale simulations with non-periodic boundary condition.MICROFLUIDICS AND NANOFLUIDICS,16(3),587-595. |
| MLA | Zhou, W. J.,et al."A study on boundary force model used in multiscale simulations with non-periodic boundary condition".MICROFLUIDICS AND NANOFLUIDICS 16.3(2014):587-595. |
入库方式： OAI收割
来源：工程热物理研究所
浏览0
下载0
收藏0
其他版本
除非特别说明，本系统中所有内容都受版权保护，并保留所有权利。