Waterlike anomalies for core-softened models of fluids: Two-dimensional systems

被引:84
作者
Scala, A
Sadr-Lahijany, MR
Giovambattista, N
Buldyrev, SV
Stanley, HE
机构
[1] Boston Univ, Ctr Polymer Studies, Boston, MA 02215 USA
[2] Boston Univ, Dept Phys, Boston, MA 02215 USA
关键词
D O I
10.1103/PhysRevE.63.041202
中图分类号
O35 [流体力学]; O53 [等离子体物理学];
学科分类号
070204 ; 080103 ; 080704 ;
摘要
We use molecular-dynamics simulations in two dimensions to investigate the possibility that a core-softened potential can reproduce static and dynamic anomalies found experimentally in liquid water: (i) the increase in specific volume upon cooling, (ii) the increase in isothermal compressibility upon cooling, and (iii) the increase in the diffusion coefficient with pressure. We relate these anomalies to the shape of the potential. We obtain the phase diagram of the system and identify two solid phases: a square crystal (high-density phase) and a triangular crystal (low-density phase). We also discuss the relation between the anomalies observed and the polymorphism of the solid. Finally, we compare the phase diagram of our model system with experimental data, noting especially the line of temperatures of maximum density, the line of pressures of maximum diffusion constant, and the line of temperatures of minimum isothermal compressibility.
引用
收藏
页码:412021 / 412028
页数:8
相关论文
共 30 条
[1]   ON TEMPERATURE DEPENDENCE OF COOPERATIVE RELAXATION PROPERTIES IN GLASS-FORMING LIQUIDS [J].
ADAM, G ;
GIBBS, JH .
JOURNAL OF CHEMICAL PHYSICS, 1965, 43 (01) :139-&
[2]  
Allen M. P., 1989, COMPUTER SIMULATION
[3]   CONSTANT PRESSURE MOLECULAR-DYNAMICS SIMULATIONS OF THE 2DR-12 SYSTEM - COMPARISON WITH ISOCHORES AND ISOTHERMS [J].
BROUGHTON, JQ ;
GILMER, GH ;
WEEKS, JD .
JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (10) :5128-5132
[4]   Local structural heterogeneities in liquid water under pressure [J].
Canpolat, M ;
Starr, FW ;
Scala, A ;
Sadr-Lahijany, MR ;
Mishima, O ;
Havlin, S ;
Stanley, HE .
CHEMICAL PHYSICS LETTERS, 1998, 294 (1-3) :9-12
[5]  
Chaikin P. M., 1995, PRINCIPLES CONDENSED
[6]  
Debenedetti P. G., 1996, METASTABLE LIQUIDS C
[7]   SPINODAL CURVE OF SOME SUPERCOOLED LIQUIDS [J].
DEBENEDETTI, PG ;
RAGHAVAN, VS ;
BORICK, SS .
JOURNAL OF PHYSICAL CHEMISTRY, 1991, 95 (11) :4540-4551
[8]   Generic mechanism for generating a liquid-liquid phase transition [J].
Franzese, G ;
Malescio, G ;
Skibinsky, A ;
Buldyrev, SV ;
Stanley, HE .
NATURE, 2001, 409 (6821) :692-695
[9]  
HAAR L, 1984, NBS NRC STEAM TABLES, P271
[10]   Liquid-liquid phase transition: Evidence from simulations [J].
Harrington, S ;
Zhang, R ;
Poole, PH ;
Sciortino, F ;
Stanley, HE .
PHYSICAL REVIEW LETTERS, 1997, 78 (12) :2409-2412