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...
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
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...
Darwin Barayang Putungan