中国科学院软件研究所机构知识库
Advanced  
ISCAS OpenIR  > 软件所图书馆  > 期刊论文
Title:
a molecular dynamics-continuum coupled model for heat transfer in composite materials
Author: Huang Jizu ; Cao Liqun ; Yang Sam
Keyword: Composite materials ; Finite element method ; Heat transfer ; Homogenization method ; Interfaces (materials) ; Nanotechnology ; Numerical methods ; Structure (composition) ; Temperature ; Thermal conductivity of solids
Source: Multiscale Modeling and Simulation
Issued Date: 2012
Volume: 10, Issue:4, Pages:1292-1316
Indexed Type: EI
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
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.
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.
Language: 英语
WOS ID: WOS:000312702100007
Citation statistics:
Content Type: 期刊论文
URI: http://ir.iscas.ac.cn/handle/311060/15112
Appears in Collections:软件所图书馆_期刊论文

Files in This Item:

There are no files associated with this item.


Recommended Citation:
Huang Jizu,Cao Liqun,Yang Sam. a molecular dynamics-continuum coupled model for heat transfer in composite materials[J]. Multiscale Modeling and Simulation,2012-01-01,10(4):1292-1316.
Service
Recommend this item
Sava as my favorate item
Show this item's statistics
Export Endnote File
Google Scholar
Similar articles in Google Scholar
[Huang Jizu]'s Articles
[Cao Liqun]'s Articles
[Yang Sam]'s Articles
CSDL cross search
Similar articles in CSDL Cross Search
[Huang Jizu]‘s Articles
[Cao Liqun]‘s Articles
[Yang Sam]‘s Articles
Related Copyright Policies
Null
Social Bookmarking
Add to CiteULike Add to Connotea Add to Del.icio.us Add to Digg Add to Reddit
所有评论 (0)
暂无评论
 
评注功能仅针对注册用户开放,请您登录
您对该条目有什么异议,请填写以下表单,管理员会尽快联系您。
内 容:
Email:  *
单位:
验证码:   刷新
您在IR的使用过程中有什么好的想法或者建议可以反馈给我们。
标 题:
 *
内 容:
Email:  *
验证码:   刷新

Items in IR are protected by copyright, with all rights reserved, unless otherwise indicated.

 

 

Valid XHTML 1.0!
Copyright © 2007-2020  中国科学院软件研究所 - Feedback
Powered by CSpace