Abstract
We study at- and out-of-equilibrium dynamics of a single homopolymer chain at low temperature using molecular dynamics. The main quantities of interest are the average root mean square displacement of the monomers below the θ point, and the structure factor, as a function of time. The observation of these quantities show a close resemblance to those measured in structural glasses and suggest that the polymer chain in its low temperature phase is in a glassy phase, with its dynamics dominated by traps. In equilibrium, at low temperature, we observe the trapping of the monomers and a slowing down of the overall motion of the polymer as well as nonexponential relaxation of the structure factor. Out of equilibrium, at low temperatures, we compute the two-time quantities and observe breaking of ergodicity in a range of waiting times, with the onset of aging.
| Original language | English (US) |
|---|---|
| Article number | 030801 |
| Pages (from-to) | 030801/1-030801/4 |
| Journal | Physical Review E - Statistical, Nonlinear, and Soft Matter Physics |
| Volume | 65 |
| Issue number | 3 |
| DOIs | |
| State | Published - Mar 1 2002 |
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All Science Journal Classification (ASJC) codes
- Statistical and Nonlinear Physics
- Statistics and Probability
- Condensed Matter Physics
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Glassy behavior of a homopolymer from molecular dynamics simulations. / Dokholyan, Nikolay V.; Pitard, Estelle; Buldyrev, Sergey V.; Stanley, H. Eugene.
In: Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, Vol. 65, No. 3, 030801, 01.03.2002, p. 030801/1-030801/4.Research output: Contribution to journal › Article
TY - JOUR
T1 - Glassy behavior of a homopolymer from molecular dynamics simulations
AU - Dokholyan, Nikolay V.
AU - Pitard, Estelle
AU - Buldyrev, Sergey V.
AU - Stanley, H. Eugene
PY - 2002/3/1
Y1 - 2002/3/1
N2 - We study at- and out-of-equilibrium dynamics of a single homopolymer chain at low temperature using molecular dynamics. The main quantities of interest are the average root mean square displacement of the monomers below the θ point, and the structure factor, as a function of time. The observation of these quantities show a close resemblance to those measured in structural glasses and suggest that the polymer chain in its low temperature phase is in a glassy phase, with its dynamics dominated by traps. In equilibrium, at low temperature, we observe the trapping of the monomers and a slowing down of the overall motion of the polymer as well as nonexponential relaxation of the structure factor. Out of equilibrium, at low temperatures, we compute the two-time quantities and observe breaking of ergodicity in a range of waiting times, with the onset of aging.
AB - We study at- and out-of-equilibrium dynamics of a single homopolymer chain at low temperature using molecular dynamics. The main quantities of interest are the average root mean square displacement of the monomers below the θ point, and the structure factor, as a function of time. The observation of these quantities show a close resemblance to those measured in structural glasses and suggest that the polymer chain in its low temperature phase is in a glassy phase, with its dynamics dominated by traps. In equilibrium, at low temperature, we observe the trapping of the monomers and a slowing down of the overall motion of the polymer as well as nonexponential relaxation of the structure factor. Out of equilibrium, at low temperatures, we compute the two-time quantities and observe breaking of ergodicity in a range of waiting times, with the onset of aging.
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U2 - 10.1103/PhysRevE.65.030801
DO - 10.1103/PhysRevE.65.030801
M3 - Article
C2 - 11909019
AN - SCOPUS:41349116508
VL - 65
SP - 030801/1-030801/4
JO - Physical Review E
JF - Physical Review E
SN - 2470-0045
IS - 3
M1 - 030801
ER -