BROWSE

Related Researcher

Author's Photo

Baig, Chunggi
Theoretical and Computational study of Polymers & Nanomaterials Lab
Research Interests
  • Multiscale simulation, Polymer rheology, Nonequilibrium molecular dynamics/monte carlo

ITEM VIEW & DOWNLOAD

Structure formation under steady-state isothermal planar elongational flow of n-eicosane: A comparison between simulation and experiment

Cited 1 times inthomson ciCited 11 times inthomson ci
Title
Structure formation under steady-state isothermal planar elongational flow of n-eicosane: A comparison between simulation and experiment
Author
Ionescu, TCBaig, ChunggiEdwards, BJKeffer, DJHabenschuss, A
Issue Date
2006-01
Publisher
AMERICAN PHYSICAL SOC
Citation
PHYSICAL REVIEW LETTERS, v.96, no.3, pp.037802-1 - 037802-4
Abstract
We use nonequilibrium molecular dynamics simulations to investigate the structural properties of an oriented melt of n-eicosane under steady-state planar elongational flow. The flow-induced structure was evaluated using the structure factor sk taken as the Fourier transform of the total pair correlation function gr. We found that the equilibrium liquid structure factor is in excellent agreement with the one determined via x-ray diffraction. Moreover, a new x-ray diffraction experiment has been performed on a crystalline n-eicosane sample. The resulting intramolecular contribution to the structure factor was found to be in very good agreement with the simulated one at a high elongation rate, indicating the existence of a possible crystalline precursor structure.
URI
https://scholarworks.unist.ac.kr/handle/201301/6962
URL
https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.96.037802
DOI
10.1103/PhysRevLett.96.037802
ISSN
0031-9007
Appears in Collections:
ECHE_Journal Papers
Files in This Item:
There are no files associated with this item.

find_unist can give you direct access to the published full text of this article. (UNISTARs only)

Show full item record

qrcode

  • mendeley

    citeulike

Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.

MENU