a molecular dynamics-continuum coupled model for heat transfer in composite materials
文献类型：期刊论文
| 作者 | Huang Jizu ; Cao Liqun ; Yang Sam |
| 刊名 | Multiscale Modeling and Simulation
 |
| 出版日期 | 2012 |
| 卷号 | 10期号:4页码:1292-1316 |
| 关键词 | Composite materials Finite element method Heat transfer Homogenization method Interfaces (materials) Nanotechnology Numerical methods Structure (composition) Temperature Thermal conductivity of solids |
| ISSN号 | 1540-3459 |
| 中文摘要 | The heat transfer problem in composite materials containing nanoscale interfaces is investigated. A molecular dynamics-continuum coupled model is developed to study heat transport from the macro- to the microscales. The model includes four major steps: (1) A reverse nonequilibrium molecular dynamics (RNEMD) method is used to calculate some physical parameters such as the thermal conductivities on the interface. (2) The homogenization method is applied to compute the homogenized thermal conductivities of composite materials. (3) The temperature field in the global structure of composite materials is computed with the multiscale asymptotic method for the macroscopic heat transfer equation. (4) A molecular dynamics-continuum coupled model is developed to reevaluate the temperature field of composite materials, in particular, the local temperature field near the interface. Numerical results in one-, two-, and three-dimensional structures of composite materials including the nanoscale interface are given. Good agreement is achieved between the numerical results of the proposed coupled algorithm and those of the full molecular dynamics simulation, demonstrating the accuracy of the present method and its potential applications in thermal engineering of composite materials. © 2012 SIAM. |
| 英文摘要 | The heat transfer problem in composite materials containing nanoscale interfaces is investigated. A molecular dynamics-continuum coupled model is developed to study heat transport from the macro- to the microscales. The model includes four major steps: (1) A reverse nonequilibrium molecular dynamics (RNEMD) method is used to calculate some physical parameters such as the thermal conductivities on the interface. (2) The homogenization method is applied to compute the homogenized thermal conductivities of composite materials. (3) The temperature field in the global structure of composite materials is computed with the multiscale asymptotic method for the macroscopic heat transfer equation. (4) A molecular dynamics-continuum coupled model is developed to reevaluate the temperature field of composite materials, in particular, the local temperature field near the interface. Numerical results in one-, two-, and three-dimensional structures of composite materials including the nanoscale interface are given. Good agreement is achieved between the numerical results of the proposed coupled algorithm and those of the full molecular dynamics simulation, demonstrating the accuracy of the present method and its potential applications in thermal engineering of composite materials. © 2012 SIAM. |
| 收录类别 | EI |
| 语种 | 英语 |
| WOS记录号 | WOS:000312702100007 |
| 公开日期 | 2013-09-17 |
| 源URL | [http://ir.iscas.ac.cn/handle/311060/15112]  |
| 专题 | 软件研究所_软件所图书馆_期刊论文 |
| 推荐引用方式 GB/T 7714 | Huang Jizu,Cao Liqun,Yang Sam. a molecular dynamics-continuum coupled model for heat transfer in composite materials[J]. Multiscale Modeling and Simulation,2012,10(4):1292-1316. |
| APA | Huang Jizu,Cao Liqun,&Yang Sam.(2012).a molecular dynamics-continuum coupled model for heat transfer in composite materials.Multiscale Modeling and Simulation,10(4),1292-1316. |
| MLA | Huang Jizu,et al."a molecular dynamics-continuum coupled model for heat transfer in composite materials".Multiscale Modeling and Simulation 10.4(2012):1292-1316. |
入库方式： OAI收割
来源：软件研究所
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。