A review of multiscale computational methods in polymeric materials
A Gooneie, S Schuschnigg, C Holzer - Polymers, 2017 - mdpi.com
Polymeric materials display distinguished characteristics which stem from the interplay of
phenomena at various length and time scales. Further development of polymer systems …
phenomena at various length and time scales. Further development of polymer systems …
Challenges in multiscale modeling of polymer dynamics
The mechanical and physical properties of polymeric materials originate from the interplay of
phenomena at different spatial and temporal scales. As such, it is necessary to adopt …
phenomena at different spatial and temporal scales. As such, it is necessary to adopt …
Functionalized graphene sheets for polymer nanocomposites
T Ramanathan, AA Abdala, S Stankovich… - Nature …, 2008 - nature.com
Polymer-based composites were heralded in the 1960s as a new paradigm for materials. By
dispersing strong, highly stiff fibres in a polymer matrix, high-performance lightweight …
dispersing strong, highly stiff fibres in a polymer matrix, high-performance lightweight …
[PDF][PDF] Fracture and fatigue in graphene nanocomposites
MA Rafiee, J Rafiee, I Srivastava, Z Wang, H Song… - small, 2010 - kompozit.org.tr
Graphene, a single-atom-thick sheet of carbon in a 2-D network, has been the center of
attention owing to its high specific area and outstanding mechanical, electrical, and thermal …
attention owing to its high specific area and outstanding mechanical, electrical, and thermal …
Polymer nanocomposites: a small part of the story
Polymer nanocomposites are polymer matrix composites in which the fillers are less than
100 nm in at least one dimension. These composites have exhibited extraordinarily …
100 nm in at least one dimension. These composites have exhibited extraordinarily …
Hierarchical modeling of polystyrene: From atomistic to coarse-grained simulations
We present a hierarchical approach that combines atomistic and mesoscopic simulations
that can generally be applied to vinyl polymers. As a test case, the approach is applied to …
that can generally be applied to vinyl polymers. As a test case, the approach is applied to …
Graphitic nanofillers in PMMA nanocomposites—an investigation of particle size and dispersion and their influence on nanocomposite properties
T Ramanathan, S Stankovich, DA Dikin… - Journal of Polymer …, 2007 - Wiley Online Library
Mechanical, thermal, and electrical properties of graphite/PMMA composites have been
evaluated as functions of particle size and dispersion of the graphitic nanofiller components …
evaluated as functions of particle size and dispersion of the graphitic nanofiller components …
Modeling of graphene–polymer interfacial mechanical behavior using molecular dynamics
AP Awasthi, DC Lagoudas… - … and Simulation in …, 2008 - iopscience.iop.org
Carbon nanotube (CNT) polymer-matrix composites exhibit promising properties as
structural materials for which appropriate constitutive models are sought, to predict their …
structural materials for which appropriate constitutive models are sought, to predict their …
Surface-induced polymer crystallization and the resultant structures and morphologies
H Li, S Yan - Macromolecules, 2011 - ACS Publications
The dependence of properties on the structure and morphology of semicrystalline polymers
offers an effective way to tailor the properties of these materials through crystal engineering …
offers an effective way to tailor the properties of these materials through crystal engineering …
Dynamics of polystyrene melts through hierarchical multiscale simulations
VA Harmandaris, K Kremer - Macromolecules, 2009 - ACS Publications
A quantitative understanding and prediction of the dynamics of entangled polymer melts is a
long-standing problem. In this work we present results about the dynamical and rheological …
long-standing problem. In this work we present results about the dynamical and rheological …