An ubiquitous mechanism for water-like anomalies

被引:63
作者
de Oliveira, A. B. [1 ]
Netz, P. A. [2 ]
Barbosa, M. C. [1 ]
机构
[1] Univ Fed Rio Grande do Sul, Inst Fis, BR-91501970 Porto Alegre, RS, Brazil
[2] Univ Fed Rio Grande do Sul, Inst Quim, BR-91501970 Porto Alegre, RS, Brazil
关键词
PRESSURE ENHANCEMENT; MOLECULAR-DYNAMICS; ION MOBILITIES; LIQUID; DIFFUSION; POTENTIALS; TRANSITION; ORDER;
D O I
10.1209/0295-5075/85/36001
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
Using collision-driven molecular dynamics a system of spherical particles interacting through an effective two-length-scales potential is studied. The potential can be tuned by means of a single parameter, lambda, from a ramp (lambda = 0.5) to a square-shoulder potential (lambda = 1.0) representing a family of two-length-scales potentials in which the shortest interaction distance has higher potential energy than the largest interaction distance. For all the potentials, ranging between the ramp and the square-shoulder, density and structural anomalies were found, while the diffusion anomaly is found in all but in the square-shoulder potential. The presence of anomalies in square-shoulder potential, not observed in previous simulations, confirms the assumption that the two-length-scales potential is an ubiquitous ingredient for a system to exhibit water-like anomalies. Copyright (C) EPLA, 2009
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页数:6
相关论文
共 44 条
[1]   Ionic melts with waterlike anomalies:: Thermodynamic properties of liquid BeF2 [J].
Agarwal, Manish ;
Sharma, Ruchi ;
Chakravarty, Charusita .
JOURNAL OF CHEMICAL PHYSICS, 2007, 127 (16)
[2]   Waterlike structural and excess entropy anomalies in liquid beryllium fluoride [J].
Agarwal, Manish ;
Chakravarty, Charusita .
JOURNAL OF PHYSICAL CHEMISTRY B, 2007, 111 (46) :13294-13300
[3]   STUDIES IN MOLECULAR DYNAMICS .1. GENERAL METHOD [J].
ALDER, BJ ;
WAINWRIGHT, TE .
JOURNAL OF CHEMICAL PHYSICS, 1959, 31 (02) :459-466
[4]   PRESSURE ENHANCEMENT OF ION MOBILITIES IN LIQUID SILICATES FROM COMPUTER-SIMULATION STUDIES TO 800-KILOBARS [J].
ANGELL, CA ;
CHEESEMAN, PA ;
TAMADDON, S .
SCIENCE, 1982, 218 (4575) :885-887
[5]   SPIN-ECHO DIFFUSION-COEFFICIENTS OF WATER TO 2380-BAR AND -20DEGREESC [J].
ANGELL, CA ;
FINCH, ED ;
WOOLF, LA ;
BACH, P .
JOURNAL OF CHEMICAL PHYSICS, 1976, 65 (08) :3063-3074
[6]   Water-like solvation thermodynamics in a spherically symmetric solvent model with two characteristic lengths [J].
Buldyrev, Sergey V. ;
Kumar, Pradeep ;
Debenedetti, Pablo G. ;
Rossky, Peter J. ;
Stanley, H. Eugene .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2007, 104 (51) :20177-20182
[7]   Dynamics in a two-dimensional core-softened fluid [J].
Camp, PJ .
PHYSICAL REVIEW E, 2005, 71 (03)
[8]  
CHAPLIN M, 63 ANOMALIES WATER
[9]   Which mechanism underlies the water-like anomalies in core-softened potentials? [J].
de Oliveira, A. B. ;
Netz, P. A. ;
Barbosa, M. C. .
EUROPEAN PHYSICAL JOURNAL B, 2008, 64 (3-4) :481-486
[10]   Thermodynamic and dynamic anomalies for a three-dimensional isotropic core-softened potential [J].
de Oliveira, AB ;
Netz, PA ;
Colla, T ;
Barbosa, MC .
JOURNAL OF CHEMICAL PHYSICS, 2006, 124 (08)