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dc.contributor.authorHur, K.
dc.contributor.authorHennig, R.G.
dc.contributor.authorEscobedo, F.A.
dc.contributor.authorWiesner, U.B.
dc.date.accessioned2012-10-10T17:27:50Z
dc.date.available2012-10-10T17:27:50Z
dc.date.issued2010-11-19
dc.identifier.citationJ. Chem. Phys. 133, 194108 (2010); http://dx.doi.org/10.1063/1.3502680en_US
dc.identifier.otherhttp://dx.doi.org/10.1063/1.3502680
dc.identifier.urihttps://hdl.handle.net/1813/30457
dc.description.abstractIn this work, we present a theoretical framework that unifies polymer field theory and density functional theory in order to efficiently predict ordered nanostructure formation of systems having considerable complexity in terms of molecular structures and interactions. We validate our approach by comparing its predictions with previous simulation results for model systems. We illustrate the flexibility of our approach by applying it to hybrid systems composed of block copolymers and ligand coated nanoparticles. We expect that our approach will enable the treatment of multicomponent self-assembly with a level of molecular complexity that approaches experimental systems.en_US
dc.description.sponsorshipThis publication was based on work supported by Award No. KUS-C1-018-02, made by King Abdullah University of Science and Technology (KAUST). The calculations have been performed using computational resources of the Computational Center for Nanotechnology Innovation (CCNI) at Rensselaer Polytechnic Institute.en_US
dc.language.isoen_USen_US
dc.publisherAmerican Institute of Physicsen_US
dc.relation.hasversionhttp://scitation.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=JCPSA6000133000019194108000001&idtype=cvips&doi=10.1063/1.3502680&prog=normalen_US
dc.subjectDENSITY-FUNCTIONAL THEORYen_US
dc.subjectCONSISTENT-FIELD THEORYen_US
dc.subjectFREE-ENERGY MODELen_US
dc.subjectASYMMETRIC ELECTROLYTESen_US
dc.subjectBICONTINUOUS PHASESen_US
dc.subjectMONTE-CARLO; SYSTEMSen_US
dc.subjectMIXTURESen_US
dc.subjectPOLYMERSen_US
dc.subjectFLUIDen_US
dc.titleMesoscopic structure prediction of nanoparticle assembly and coassembly: Theoretical foundationen_US
dc.typearticleen_US


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