AGGREGATION OF A QUENCHED LENNARD-JONES SYSTEM UNDER SHEAR

Citation
Bd. Butler et al., AGGREGATION OF A QUENCHED LENNARD-JONES SYSTEM UNDER SHEAR, Physical review. B, Condensed matter, 53(5), 1996, pp. 2450-2459
Citations number
45
Categorie Soggetti
Physics, Condensed Matter
ISSN journal
01631829
Volume
53
Issue
5
Year of publication
1996
Pages
2450 - 2459
Database
ISI
SICI code
0163-1829(1996)53:5<2450:AOAQLS>2.0.ZU;2-K
Abstract
The thermodynamic decomposition of an unstable thermostatted system of Lennard-Jones disks is investigated by nonequilibrium molecular dynam ics. The system, first unsheared and then subjected to planar Couette flow, is studied after temperature quenches into the unstable vapor-li quid and the vapor-solid coexistence regions of the phase diagram. An interconnected morphology, characteristic of spinodal decomposition, f orms after quenching. The cluster growth is found tp be temporally sel f-similar, and the structure factor S(q,t) obeys the dynamic scaling r elation S(q,t)similar to q(m) (-df)(t)(S) over tilde[q/q(m)(t)]. Here, q is the scattered wave vector magnitude, q(m)(t) is the location of the low angle peak in S(q,t), (S) over tilde(x) is a time-independent structure function which has a maximum at x- 1, and d(f) is a fractal dimension. d(f) is relatively insensitive to the postquench state poin t, but may depend on the shear rate. The primary influence of shear is to accelerate the aggregation-an effect that has also been observed e xperimentally in dense gelling silica suspensions. The similarities be tween these simulations and experiment suggest that a characteristic f ractal dimension of a dense gel may be determined from measurements of S(q,t).