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| a molecular dynamics-continuum coupled model for heat transfer in composite materials | |
| Huang Jizu; Cao Liqun; Yang Sam | |
| 2012 | |
| Source | Multiscale Modeling and Simulation
 |
| ISSN | 1540-3459 |
| Volume | 10Issue:4Pages:1292-1316 |
| English Abstract | 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.; 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. |
| Indexed Type | EI |
| Keyword | Composite Materials Finite Element Method Heat Transfer Homogenization Method Interfaces (Materials) Nanotechnology Numerical Methods Structure (Composition) Temperature Thermal Conductivity Of Solids |
| Department | (1) Institute of Computational Mathematics and Scientific/Engineering Computing Academy of Mathematics and Systems Science Chinese Academy of Sciences Beijing 100190 China; (2) Institute of Software Chinese Academy of Sciences Beijing 100190 China; (3) LSEC Institute of Computational Mathematics and Scientific/Engineering Computing Chinese Academy of Sciences Beijing 100190 China; (4) CSIRO Materials Science and Engineering Division Private Bag 33 Clayton South MDC VIC 3169 Australia |
| Language | 英语 |
| WOS ID | WOS:000312702100007 |
| Citation statistics | |
| Content Type | 期刊论文 |
| URI | http://ir.iscas.ac.cn/handle/311060/15112 |
| Collection | 中国科学院软件研究所 |
| Recommended Citation 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. |
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