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Simulation and Modeling of Aerogels Using Atomistic and Mesoscale Methods

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Book cover Aerogels Handbook

Part of the book series: Advances in Sol-Gel Derived Materials and Technologies ((Adv.Sol-Gel Deriv. Materials Technol.))

Abstract

Molecular modeling and simulation are now widely used in many areas of materials science. In this chapter, we consider the application of these techniques to developing a better understanding of the structure and properties of aerogels. Both atomistic simulations and “coarse-grained” models are reviewed, and the challenges and possible solutions facing this field are also discussed. We focus on silica aerogels, as the great majority of simulation work in this area has been directed at understanding these materials.

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Authors and Affiliations

  1. Department of Materials Science and Engineering, University of Texas at Dallas, RL 10, Richardson, TX, 75080, USA

    Lev D. Gelb

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  1. Lev D. Gelb
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Correspondence to Lev D. Gelb .

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Editors and Affiliations

  1. Résidence Vert-Pré, Ch. des Placettes 6, Bottens, CH-1041, Switzerland

    Michel A. Aegerter

  2. Technology, Department of Chemistry, Missouri University of Science &, Rolla, 65409, Missouri, USA

    Nicholas Leventis

  3. , Building Technologies Laboratory, Empa, Überlandstrasse 129, Dübendorf, CH-8600, Switzerland

    Matthias M. Koebel

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Gelb, L.D. (2011). Simulation and Modeling of Aerogels Using Atomistic and Mesoscale Methods. In: Aegerter, M., Leventis, N., Koebel, M. (eds) Aerogels Handbook. Advances in Sol-Gel Derived Materials and Technologies. Springer, New York, NY. https://doi.org/10.1007/978-1-4419-7589-8_24

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  • DOI: https://doi.org/10.1007/978-1-4419-7589-8_24

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