Integrating PRISM theory and Monte Carlo simulation to study polymer-functionalised particles and polymer nanocomposites

Recent advances in classical density functional theory for associating and polyatomic molecules

(2011) Christopher P. Emborsky et al.   FLUID PHASE EQUILIBRIA

Effect of bidispersity in grafted chain length on grafted chain conformations and potential of mean force between polymer grafted nanoparticles in a homopolymer matrix

(2011) Nitish Nair et al.   JOURNAL OF CHEMICAL PHYSICS

The structure of chain end-grafted nanoparticle/homopolymer nanocomposites

(2011) Peter F. Green   Soft Matter

Curvature effects upon interactions of polymer-grafted nanoparticles in chemically identical polymer matrices

(2010) David M. Trombly et al.   JOURNAL OF CHEMICAL PHYSICS

Expanded chain dimensions in polymer melts with nanoparticle fillers

(2010) Amalie L. Frischknecht et al.   JOURNAL OF CHEMICAL PHYSICS

Structure of Solvent-Free Nanoparticle−Organic Hybrid Materials

(2010) Hsiu-Yu Yu et al.   LANGMUIR

Self-Consistent PRISM Theory−Monte Carlo Simulation Studies of Copolymer Grafted Nanoparticles in a Homopolymer Matrix

(2010) Nitish Nair et al.   MACROMOLECULES

Structure, scattering patterns and phase behavior of polymer nanocomposites with nonspherical fillers

(2010) Lisa M. Hall et al.   Soft Matter

Molecular theories of polymer nanocomposites

(2009) Lisa M. Hall et al.   CURRENT OPINION IN SOLID STATE & MATERIALS SCIENCE

Modeling the anisotropic self-assembly of spherical polymer-grafted nanoparticles

(2009) Victor Pryamtisyn et al.   JOURNAL OF CHEMICAL PHYSICS

Interactions between polymer-grafted particles and bare particles for biocompatibility applications

(2009) David Trombly et al.   JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS

Dispersing Nanoparticles in a Polymer Matrix: Are Long, Dense Polymer Tethers Really Necessary?

(2009) Grant D. Smith et al.   LANGMUIR

Effective Interactions and Self-Assembly of Hybrid Polymer Grafted Nanoparticles in a Homopolymer Matrix

(2009) Arthi Jayaraman et al.   MACROMOLECULES

Concentration Fluctuations, Local Order, and the Collective Structure of Polymer Nanocomposites

(2009) Lisa M. Hall et al.   MACROMOLECULES

Liquid state theory of the structure and phase behaviour of polymer-tethered nanoparticles in dense suspensions, melts and nanocomposites

(2009) Arthi Jayaraman et al.   MOLECULAR SIMULATION

Anisotropic self-assembly of spherical polymer-grafted nanoparticles

(2009) Pinar Akcora et al.   NATURE MATERIALS

Structure and assembly of dense solutions and melts of single tethered nanoparticles

(2008) Arthi Jayaraman et al.   JOURNAL OF CHEMICAL PHYSICS

Many body effects on the phase separation and structure of dense polymer-particle melts

(2008) Lisa M. Hall et al.   JOURNAL OF CHEMICAL PHYSICS

Phase behavior of polymer/nanoparticle blends near a substrate

(2008) E. S. McGarrity et al.   JOURNAL OF CHEMICAL PHYSICS

General purpose molecular dynamics simulations fully implemented on graphics processing units

(2008) Joshua A. Anderson et al.   JOURNAL OF COMPUTATIONAL PHYSICS

Effect of the Number and Placement of Polymer Tethers on the Structure of Concentrated Solutions and Melts of Hybrid Nanoparticles

(2008) Arthi Jayaraman et al.   LANGMUIR

Effective Interactions, Structure, and Phase Behavior of Lightly Tethered Nanoparticles in Polymer Melts

(2008) Arthi Jayaraman et al.   MACROMOLECULES

Theories and simulations of polymer-based nanocomposites: From chain statistics to reinforcement

(2008) Giuseppe Allegra et al.   PROGRESS IN POLYMER SCIENCE

Multiscale modeling and simulation of polymer nanocomposites

(2007) Q.H. Zeng et al.   PROGRESS IN POLYMER SCIENCE