Molecular dynamics studies of the structure and properties of polymer nano-particles

K. Fukui; B. G. Sumpter; M. D. Barnes; D. W. Noid

doi:10.1016/S1089-3156(99)00010-0

Molecular dynamics studies of the structure and properties of polymer nano-particles

K. Fukui, B. G. Sumpter, M. D. Barnes, D. W. Noid

Center for Nanophase Matls Sciences

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

32 Scopus citations

Abstract

Recently, we have developed an experimental technique for the production of monodisperse polymer particles with arbitrary size and composition. In order to examine the behavior and properties of polymer particles in the micron and submicron size, computational simulations were employed. A molecular dynamics based method for the generation and analysis of polymeric nano-particles is described in this article. This technique is used to study the dynamics as well as the behavior and the structural, thermal, and mechanical properties of nano-meter scale polymer particles.

Original language	English
Pages (from-to)	245-254
Number of pages	10
Journal	Computational and Theoretical Polymer Science
Volume	9
Issue number	3-4
DOIs	https://doi.org/10.1016/S1089-3156(99)00010-0
State	Published - Dec 1999

Funding

K.F. is supported by the Postdoctoral Research Associates Program administered jointly by Oak Ridge National Laboratory and the Oak Ridge Institute for Science and Education.

Funders	Funder number
Oak Ridge National Laboratory
Oak Ridge Institute for Science and Education

Keywords

Molecular dynamics
Nano-particles
Polyethylene

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10.1016/S1089-3156(99)00010-0

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abstract = "Recently, we have developed an experimental technique for the production of monodisperse polymer particles with arbitrary size and composition. In order to examine the behavior and properties of polymer particles in the micron and submicron size, computational simulations were employed. A molecular dynamics based method for the generation and analysis of polymeric nano-particles is described in this article. This technique is used to study the dynamics as well as the behavior and the structural, thermal, and mechanical properties of nano-meter scale polymer particles.",

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AU - Barnes, M. D.

AU - Noid, D. W.

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AB - Recently, we have developed an experimental technique for the production of monodisperse polymer particles with arbitrary size and composition. In order to examine the behavior and properties of polymer particles in the micron and submicron size, computational simulations were employed. A molecular dynamics based method for the generation and analysis of polymeric nano-particles is described in this article. This technique is used to study the dynamics as well as the behavior and the structural, thermal, and mechanical properties of nano-meter scale polymer particles.

KW - Molecular dynamics

KW - Nano-particles

KW - Polyethylene

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IS - 3-4

ER -

Molecular dynamics studies of the structure and properties of polymer nano-particles

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Keywords

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