Computational materials: Multi-scale modeling and simulation of nanostructured materials

Computational materials: Multi-scale modeling and simulation of nanostructured materials
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DOI:
10.1016/j.compscitech.2005.06.009
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发表时间:
2005-12-01
影响因子:
9.1
通讯作者:
Clancy, TC
Clancy, TC
中科院分区:
材料科学1区
文献类型:
--
作者:
Gates, TS;Odegard, GM;Clancy, TC

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本文详细介绍了目前先进材料结构应用的多尺度建模和仿真方法。给出的例子,说明建议的方法来预测的行为和影响纳米结构材料,如高性能聚合物,复合材料和纳米管增强聚合物的设计。主要的模拟和测量方法适用于多尺度建模概述。包括验证和确认的关键挑战突出和讨论。(c)2005爱思唯尔有限公司保留所有权利。
The paper provides details on the current approach to multi-scale modeling and simulation of advanced materials for structural applications. Examples are given that illustrate the suggested approaches to predicting the behavior and influencing the design of nanostructured materials such as high-performance polymers, composites, and nanotube-reinforced polymers. Primary simulation and measurement methods applicable to multi-scale modeling are outlined. Key challenges including verification and validation are highlighted and discussed. (c) 2005 Elsevier Ltd. All rights reserved.