Computational materials Multiscale modeling and simulation of nanostructured materials推荐.pdf

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,