Matrix-induced nanoparticle interactions in a polymer melt: A molecular dynamics simulation study

Dmitry Bedrov; Grant D. Smith; James S. Smith

doi:10.1063/1.1615965

Matrix-induced nanoparticle interactions in a polymer melt: A molecular dynamics simulation study

Dmitry Bedrov
, Grant D. Smith
, James S. Smith

Princeton Materials Institute

Research output: Contribution to journal › Article › peer-review

77 Scopus citations

Abstract

An extensive MD simulation study of interactions between two nanoparticles in the polymer melt matrix was conducted as a function of nanoparticle-polymer interaction and polymer molecular weight. It was found that in the nonathermal systems with relatively repulsive nanoparticle-polymer interactions, the energetic contributions dominates the POMF between two nanoparticles.

Original language	English (US)
Pages (from-to)	10438-10447
Number of pages	10
Journal	Journal of Chemical Physics
Volume	119
Issue number	19
DOIs	https://doi.org/10.1063/1.1615965
State	Published - Nov 15 2003

All Science Journal Classification (ASJC) codes

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1063/1.1615965

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title = "Matrix-induced nanoparticle interactions in a polymer melt: A molecular dynamics simulation study",

abstract = "An extensive MD simulation study of interactions between two nanoparticles in the polymer melt matrix was conducted as a function of nanoparticle-polymer interaction and polymer molecular weight. It was found that in the nonathermal systems with relatively repulsive nanoparticle-polymer interactions, the energetic contributions dominates the POMF between two nanoparticles.",

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AB - An extensive MD simulation study of interactions between two nanoparticles in the polymer melt matrix was conducted as a function of nanoparticle-polymer interaction and polymer molecular weight. It was found that in the nonathermal systems with relatively repulsive nanoparticle-polymer interactions, the energetic contributions dominates the POMF between two nanoparticles.

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UR - https://www.scopus.com/pages/publications/0344667440#tab=citedBy

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JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 19

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Matrix-induced nanoparticle interactions in a polymer melt: A molecular dynamics simulation study

Abstract

All Science Journal Classification (ASJC) codes

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