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

79 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

Access to Document

10.1063/1.1615965

Cite this

@article{c5b27560f9f04ba39a263426cb7fbc76,

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.",

author = "Dmitry Bedrov and Smith, \{Grant D.\} and Smith, \{James S.\}",

year = "2003",

month = nov,

day = "15",

doi = "10.1063/1.1615965",

language = "English (US)",

volume = "119",

pages = "10438--10447",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics",

number = "19",

}

TY - JOUR

T1 - Matrix-induced nanoparticle interactions in a polymer melt

T2 - A molecular dynamics simulation study

AU - Bedrov, Dmitry

AU - Smith, Grant D.

AU - Smith, James S.

PY - 2003/11/15

Y1 - 2003/11/15

N2 - 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.

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.

UR - https://www.scopus.com/pages/publications/0344667440

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

U2 - 10.1063/1.1615965

DO - 10.1063/1.1615965

M3 - Article

AN - SCOPUS:0344667440

SN - 0021-9606

VL - 119

SP - 10438

EP - 10447

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 19

ER -

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

Abstract

All Science Journal Classification (ASJC) codes

Access to Document

Other files and links

Fingerprint

Cite this