Aggregation of a quenched Lennard-Jones system under shear

被引:19
作者
Butler, BD [1 ]
Hanley, HJM [1 ]
Hansen, D [1 ]
Evans, DJ [1 ]
机构
[1] AUSTRALIAN NATL UNIV,RES SCH CHEM,CANBERRA,ACT 0200,AUSTRALIA
来源
PHYSICAL REVIEW B | 1996年 / 53卷 / 05期
关键词
D O I
10.1103/PhysRevB.53.2450
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
The thermodynamic decomposition of an unstable thermostatted system of Lennard-Jones disks is investigated by nonequilibrium molecular dynamics. The system, first unsheared and then subjected to planar Couette flow, is studied after temperature quenches into the unstable vapor-liquid and the vapor-solid coexistence regions of the phase diagram. An interconnected morphology, characteristic of spinodal decomposition, forms after quenching. The cluster growth is found tp be temporally self-similar, and the structure factor S(q,t) obeys the dynamic scaling relation 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 point, but may depend on the shear rate. The primary influence of shear is to accelerate the aggregation-an effect that has also been observed experimentally in dense gelling silica suspensions. The similarities between these simulations and experiment suggest that a characteristic fractal dimension of a dense gel may be determined from measurements of S(q,t).
引用
收藏
页码:2450 / 2459
页数:10
相关论文
共 45 条
[1]   THEORY FOR THERMODYNAMICS AND STRUCTURE OF NONUNIFORM SYSTEMS, WITH APPLICATIONS TO LIQUID-VAPOR INTERFACE AND SPINODAL DECOMPOSITION [J].
ABRAHAM, FF .
JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (01) :157-164
[2]   PHASE-DIAGRAM OF THE TWO-DIMENSIONAL LENNARD-JONES SYSTEM - EVIDENCE FOR 1ST-ORDER TRANSITIONS [J].
BARKER, JA ;
HENDERSON, D ;
ABRAHAM, FF .
PHYSICA A, 1981, 106 (1-2) :226-238
[3]  
BINDER K, 1974, PHYS REV LETT, V33, P1006, DOI 10.1103/PhysRevLett.33.1006
[4]   NUCLEATION BARRIERS, SPINODALS, AND THE GINZBURG CRITERION [J].
BINDER, K .
PHYSICAL REVIEW A, 1984, 29 (01) :341-349
[5]  
BRINKER CJ, 1990, SOL GEL SCI PHYSICS
[6]   CALCULATION OF DIFFUSE-SCATTERING FROM SIMULATED DISORDERED CRYSTALS - A COMPARISON WITH OPTICAL TRANSFORMS [J].
BUTLER, BD ;
WELBERRY, TR .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1992, 25 (pt 3) :391-399
[7]   DYNAMIC SCALING IN AN AGGREGATING 2D LENNARD-JONES SYSTEM [J].
BUTLER, BD ;
HANLEY, HJM ;
HANSEN, D ;
EVANS, DJ .
PHYSICAL REVIEW LETTERS, 1995, 74 (22) :4468-4471
[8]  
BUTLER BD, 1996, MATER RES SOC S P, V376, P323
[9]   FREE ENERGY OF A NONUNIFORM SYSTEM .2. THERMODYNAMIC BASIS [J].
CAHN, JW .
JOURNAL OF CHEMICAL PHYSICS, 1959, 30 (05) :1121-1124
[10]   FREE ENERGY OF A NONUNIFORM SYSTEM .1. INTERFACIAL FREE ENERGY [J].
CAHN, JW ;
HILLIARD, JE .
JOURNAL OF CHEMICAL PHYSICS, 1958, 28 (02) :258-267