Tags: kinetic monte carlo

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  1. PREPRINT: Molecular Modeling of the Microstructure Evolution during the Carbonization of PAN-Based Carbon Fibers

    23 Mar 2017 | | Contributor(s):: Alejandro Strachan, Saaketh Desai

    PREPRINTDevelopment of high strength carbon fibers (CFs) requires an understanding of the relationship between the processing conditions, microstructure and resulting properties. We developed a molecular model that combines kinetic Monte Carlo (KMC) and molecular dynamics (MD) techniques to...

  2. Bulk Heterojunction Morphology Generator

    11 Feb 2013 | | Contributor(s):: Michael C. Heiber

    This tool creates nanoscale bulk heterojunction morphologies for use with organic photovoltaics simulations

  3. Srinath Chakravarthy

    http://nanohub.org/members/77396

  4. Miguel Angel Gosalvez

    Miguel A. Gosálvez received the M.S. degree (licentiate) in Material Physics in 1996 from Universidad Complutense de Madrid, Spain, and the Ph.D. degree in Computational Physics from Helsinki...

    http://nanohub.org/members/69121

  5. Darwin Barayang Putungan

    http://nanohub.org/members/43753