Chemically Specific Multiscale Modeling of Clay-Polymer Nanocomposites Reveals Intercalation Dynamics, Tactoid Self-Assembly and Emergent Materials Properties
Published 2014 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Chemically Specific Multiscale Modeling of Clay-Polymer Nanocomposites Reveals Intercalation Dynamics, Tactoid Self-Assembly and Emergent Materials Properties
Authors
Keywords
-
Journal
ADVANCED MATERIALS
Volume 27, Issue 6, Pages 966-984
Publisher
Wiley
Online
2014-12-09
DOI
10.1002/adma.201403361
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Recent Trends and Future Outlooks in the Field of Clay-Containing Polymer Nanocomposites
- (2014) Suprakas Sinha Ray MACROMOLECULAR CHEMISTRY AND PHYSICS
- Performance of distributed multiscale simulations
- (2014) J. Borgdorff et al. PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES
- Multiscale modelling and simulation: a position paper
- (2014) A. Hoekstra et al. PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES
- Multiscale modelling: approaches and challenges
- (2014) S. Karabasov et al. PHILOSOPHICAL TRANSACTIONS OF THE ROYAL SOCIETY A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES
- Distributed multiscale computing with MUSCLE 2, the Multiscale Coupling Library and Environment
- (2014) J. Borgdorff et al. Journal of Computational Science
- Interaction of Natural Organic Matter with Layered Minerals: Recent Developments in Computational Methods at the Nanoscale
- (2014) Jeffery Greathouse et al. Minerals
- Clay: New Opportunities for Tissue Regeneration and Biomaterial Design
- (2013) Jonathan I. Dawson et al. ADVANCED MATERIALS
- An Arlequin-based method to couple molecular dynamics and finite element simulations of amorphous polymers and nanocomposites
- (2013) S. Pfaller et al. COMPUTER METHODS IN APPLIED MECHANICS AND ENGINEERING
- Survey of Multiscale and Multiphysics Applications and Communities
- (2013) Derek Groen et al. COMPUTING IN SCIENCE & ENGINEERING
- Thermodynamically Consistent Force Fields for the Assembly of Inorganic, Organic, and Biological Nanostructures: The INTERFACE Force Field
- (2013) Hendrik Heinz et al. LANGMUIR
- Hierarchical Multiscale Modeling of Polymer–Solid Interfaces: Atomistic to Coarse-Grained Description and Structural and Conformational Properties of Polystyrene–Gold Systems
- (2013) Karen Johnston et al. MACROMOLECULES
- Synthetic biopolymer nanocomposites for tissue engineering scaffolds
- (2013) Masami Okamoto et al. PROGRESS IN POLYMER SCIENCE
- Hierarchical simulations of hybrid polymer–solid materials
- (2013) Karen Johnston et al. Soft Matter
- Clay minerals for nanocomposites and biotechnology: surface modification, dynamics and responses to stimuli
- (2012) H. Heinz CLAY MINERALS
- Structure and dynamics of a polymer melt at an attractive surface
- (2012) A. De Virgiliis et al. EUROPEAN PHYSICAL JOURNAL E
- Preparation and characterization of melt-blended graphene nanosheets-poly(vinylidene fluoride) nanocomposites with enhanced properties
- (2012) M. El Achaby et al. JOURNAL OF APPLIED POLYMER SCIENCE
- Mechanical, thermal, and rheological properties of graphene-based polypropylene nanocomposites prepared by melt mixing
- (2012) Mounir El Achaby et al. POLYMER COMPOSITES
- Recent Advances in Clay/Polymer Nanocomposites
- (2011) N. Bitinis et al. ADVANCED MATERIALS
- Approaches to the manufacture of layered nanocomposites
- (2011) Yan Zhang et al. APPLIED SURFACE SCIENCE
- Rule based design of clay-swelling inhibitors
- (2011) J. L. Suter et al. Energy & Environmental Science
- Bending of Layered Silicates on the Nanometer Scale: Mechanism, Stored Energy, and Curvature Limits
- (2011) Yao-Tsung Fu et al. Journal of Physical Chemistry C
- Imidazolium Ionic Liquid Interfaces with Vapor and Graphite: Interfacial Tension and Capacitance from Coarse-Grained Molecular Simulations
- (2011) Céline Merlet et al. Journal of Physical Chemistry C
- Development and applications of polyolefin– and rubber–clay nanocomposites
- (2011) Makoto Kato et al. POLYMER JOURNAL
- Nacre from mollusk shells: a model for high-performance structural materials
- (2010) Francois Barthelat Bioinspiration & Biomimetics
- Cleavage Energy of Alkylammonium-Modified Montmorillonite and Relation to Exfoliation in Nanocomposites: Influence of Cation Density, Head Group Structure, and Chain Length
- (2010) Yao-Tsung Fu et al. CHEMISTRY OF MATERIALS
- Molecular dynamics computer simulations of the effects of hydrogen bonding on the properties of layered double hydroxides intercalated with organic acids
- (2010) Andrey G. Kalinichev et al. PHILOSOPHICAL MAGAZINE
- Graphene-based polymer nanocomposites
- (2010) Jeffrey R. Potts et al. POLYMER
- Molecular dynamics insight into the cointercalation of hexadecyltrimethyl-ammonium and acetate ions into smectites
- (2009) X. Liu et al. AMERICAN MINERALOGIST
- Comparative atomistic and coarse-grained study of water: What do we lose by coarse-graining?
- (2009) Han Wang et al. EUROPEAN PHYSICAL JOURNAL E
- Versatile Object-Oriented Toolkit for Coarse-Graining Applications
- (2009) Victor Rühle et al. Journal of Chemical Theory and Computation
- Recent advances in large-scale atomistic and coarse-grained molecular dynamics simulation of clay minerals
- (2009) James L. Suter et al. JOURNAL OF MATERIALS CHEMISTRY
- Advances in atomistic simulations of mineral surfaces
- (2009) P. Geysermans et al. JOURNAL OF MATERIALS CHEMISTRY
- Determining materials properties of natural composites using molecular simulation
- (2009) Richard L. Anderson et al. JOURNAL OF MATERIALS CHEMISTRY
- Molecular models and simulations of layered materials
- (2009) Randall T. Cygan et al. JOURNAL OF MATERIALS CHEMISTRY
- PRIMO/PRIMONA: A coarse-grained model for proteins and nucleic acids that preserves near-atomistic accuracy
- (2009) Srinivasa M. Gopal et al. PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS
- Deformation Measurements on Thin Clay Tactoids
- (2009) Daniel A. Kunz et al. Small
- Computer simulation study of the materials properties of intercalated and exfoliated poly(ethylene)glycol clay nanocomposites
- (2009) James L. Suter et al. Soft Matter
- Materials properties of clay nanocomposites: onset of negative Poisson ratio in large-scale molecular dynamics simulation
- (2009) James L. Suter et al. Soft Matter
- The MARTINI Coarse-Grained Force Field: Extension to Proteins
- (2008) Luca Monticelli et al. Journal of Chemical Theory and Computation
- Polymer/layered silicate nanocomposite anticorrosive coatings
- (2008) Jui-Ming Yeh et al. JOURNAL OF INDUSTRIAL AND ENGINEERING CHEMISTRY
- Role of Host Layer Flexibility in DNA Guest Intercalation Revealed by Computer Simulation of Layered Nanomaterials
- (2008) Mary-Ann Thyveetil et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Altered Phase Model for Polymer Clay Nanocomposites
- (2008) Debashis Sikdar et al. LANGMUIR
- Polymer nanotechnology: Nanocomposites
- (2008) D.R. Paul et al. POLYMER
- A critical appraisal of polymer–clay nanocomposites
- (2007) Biqiong Chen et al. CHEMICAL SOCIETY REVIEWS
Discover Peeref hubs
Discuss science. Find collaborators. Network.
Join a conversationAdd your recorded webinar
Do you already have a recorded webinar? Grow your audience and get more views by easily listing your recording on Peeref.
Upload Now