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 …

Challenges in multiscale modeling of polymer dynamics

Y Li, BC Abberton, M Kröger, WK Liu - Polymers, 2013 - mdpi.com
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 …

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 …

[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 …

Polymer nanocomposites: a small part of the story

LS Schadler, LC Brinson, WG Sawyer - Jom, 2007 - Springer
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 …

Hierarchical modeling of polystyrene: From atomistic to coarse-grained simulations

VA Harmandaris, NP Adhikari, NFA van der Vegt… - …, 2006 - ACS Publications
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 …

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 …

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 …

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 …

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 …