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Computational materials Multiscale modeling and simulation of nanostructured materials推荐
COMPOSITES
SCIENCE AND
TECHNOLOGY
Composites Science and Technology 65 (2005) 2416–2434
/locate/compscitech
Computational materials: Multi-scale modeling and simulation
of nanostructured materials
T.S. Gates a,*, G.M. Odegard b, S.J.V. Frankland c, T.C. Clancy c
a NASA Langley Research Center, MS 188E, Hampton, VA 23681, USA
b Michigan Technological University, 1400 Townsend Drive, Houghton, MI 49931, USA
c National Institute of Aerospace, 100 Exploration Way, Hampton, VA 23666, USA
Received 7 June 2005; accepted 7 June 2005
Available online 3 August 2005
Abstract
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.
2005 Elsevier Ltd. All rights reserved.
Keywords: Multi-scale modeling; Computational materials; Nanotechnology
1. Introduction Within the last 20 years,
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