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Fractal dimensions of silica gels generated using reactive molecular dynamics simulations
dc.contributor.authorBhattacharya, Sudinen_US
dc.contributor.authorKieffer, Johnen_US
dc.date.accessioned2011-11-15T16:10:16Z
dc.date.available2011-11-15T16:10:16Z
dc.date.issued2005-03-01en_US
dc.identifier.citationBhattacharya, Sudin; Kieffer, John (2005). "Fractal dimensions of silica gels generated using reactive molecular dynamics simulations." The Journal of Chemical Physics 122(9): 094715-094715-8. <http://hdl.handle.net/2027.42/87864>en_US
dc.identifier.urihttps://hdl.handle.net/2027.42/87864
dc.description.abstractWe have used molecular dynamics simulations based on a three-body potential with charge transfer to generate nanoporous silica aerogels. Care was taken to reproduce the sol-gel condensation reaction that forms the gel backbone as realistically as possible and to thereby produce credible gel structures. The self-similarity of aerogel structures was investigated by evaluating their fractal dimension from geometric correlations. For comparison, we have also generated porous silica glasses by rupturing dense silica and computed their fractal dimension. The fractal dimension of the porous silica structures was found to be process dependent. Finally, we have determined that the effect of supercritical drying on the fractal nature of condensed silica gels is not appreciable.en_US
dc.publisherThe American Institute of Physicsen_US
dc.rights© The American Institute of Physicsen_US
dc.titleFractal dimensions of silica gels generated using reactive molecular dynamics simulationsen_US
dc.typeArticleen_US
dc.subject.hlbsecondlevelPhysicsen_US
dc.subject.hlbtoplevelScienceen_US
dc.description.peerreviewedPeer Revieweden_US
dc.contributor.affiliationumDepartment of Mechanical Engineering, University of Michigan, Ann Arbor, Michigan 48109-2158en_US
dc.contributor.affiliationumDepartment of Materials Science and Engineering, University of Michigan, Ann Arbor, Michigan 48109-2136en_US
dc.identifier.pmid15836170en_US
dc.description.bitstreamurlhttp://deepblue.lib.umich.edu/bitstream/2027.42/87864/2/094715_1.pdf
dc.identifier.doi10.1063/1.1857522en_US
dc.identifier.sourceThe Journal of Chemical Physicsen_US
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dc.owningcollnamePhysics, Department of


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