Mechanical characterization and induced crystallization in nanocomposites of thermoplastics and carbon nanotubes

作     者：Eduardo R.Cruz-Chú Gonzalo J.Villegas-Rodríguez Tobias Jäger Luca Valentini Nicola M.Pugno Konstantinos Gkagkas Frauke Gräter 

作者机构：Laboratorios de Investigación y DesarrolloFacultad de Ciencias y FilosofíaUniversidad Peruana Cayetano HerediaLimaPeru Molecular Biomechanics GroupHeidelberg Institute for Theoretical StudiesHeidelbergGermany Civil and Environmental Engineering DepartmentUniversity of Perugia and INSTM Research UnitTerniItaly Laboratory of Bio-inspiredBionicNanoMeta Materials MechanicsUniversity of TrentoTrentoItaly School of Engineering and Materials ScienceQueen Mary University of LondonLondonUK Advanced Technology GroupToyota Motor EuropeZaventemBelgium Interdisciplinary Center for Scientific Computing(IWR)Heidelberg UniversityHeidelbergGermany 

出 版 物：《npj Computational Materials》 (计算材料学（英文）)

年 卷 期：2020年第6卷第1期

页      面：413-423页

核心收录：

学科分类：08[工学] 0805[工学-材料科学与工程（可授工学、理学学位）] 080502[工学-材料学] 

基　　金：We also thank the PRACE committee for granting us supercomputer time at High Performance Computing Center Stuttgart in Hermit/Hornet supercomputers(project PP14102332) E.R.C.C.acknowledges additional support from the Fundacion Cristina e Ismael Cobian through Beca de Retorno N.M.P.is supported by the European Commision under the Graphene Fragship Core 3 grant No.881603(WP12,"Composites") 

主　　题：materials composites crystallization 

摘      要：Nanocomposites built from polymers and carbon nanotubes(CNTs)are a promising class of *** modeling can provide nanoscale views of the polymer–CNT interface,which are much needed to foster the manufacturing and development of such ***,setting up periodic nanocomposite models is a challenging *** we propose a computational workflow based on Molecular Dynamics simulations.