Dynamic properties of Lennard-Jones fluids and liquid metals

被引:28
作者
Canales, M
Padró, JA
机构
[1] Univ Politecn Catalunya, Dept Fis & Engn Nucl, ES-08034 Barcelona, Spain
[2] Univ Barcelona, Dept Fis Fonamental, E-08028 Barcelona, Spain
来源
PHYSICAL REVIEW E | 1999年 / 60卷 / 01期
关键词
D O I
10.1103/PhysRevE.60.551
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
The dependence of the dynamic properties of liquid metals and Lennard-Jones fluids on the characteristics of the interaction potentials is analyzed. Molecular-dynamics simulations of liquids in analogous conditions but assuming that their particles interact either through a Lennard-Jones or a liquid-metal potential were carried out. The Lennard-Jones potentials were chosen so that both the effective size of the particles and the depth of the potential well were very close to those of the Liquid-metal potentials. In order to investigate the extent to which the dynamic properties of liquids depend on the short-range attractive interactions as well as on the softness of the potential cores, molecular-dynamics simulations of the same systems but assuming purely repulsive interactions with the same potential cores were also performed. The study includes both single particle dynamic properties, such as the velocity autocorrelation functions, and collective dynamic properties, such as the intermediate scattering functions, the dynamic structure factors, the longitudinal and transverse current correlations, and the transport coefficients. [S1063-651X(99)07707-7].
引用
收藏
页码:551 / 558
页数:8
相关论文
共 27 条
[1]   A molecular dynamics study of the collective correlation functions of a hard-core fluid with a Yukawa tail [J].
Alemany, MMG ;
Rey, C ;
Gallego, LJ .
JOURNAL OF CHEMICAL PHYSICS, 1996, 105 (18) :8250-8256
[2]   THE NEUTRON-SCATTERING FUNCTION FOR HARD-SPHERES [J].
ALLEY, WE ;
ALDER, BJ ;
YIP, S .
PHYSICAL REVIEW A, 1983, 27 (06) :3174-3186
[3]   LIQUID ALKALI-METALS AT THE MELTING-POINT - STRUCTURAL AND DYNAMIC PROPERTIES [J].
BALUCANI, U ;
TORCINI, A ;
VALLAURI, R .
PHYSICAL REVIEW B, 1993, 47 (06) :3011-3020
[4]  
Balucani U., 1994, DYNAMICS LIQUID STAT
[5]  
CANADAS S, 1994, CRITIQUE, V50, P3
[6]   MOLECULAR-DYNAMICS SIMULATION OF LIQUID LITHIUM [J].
CANALES, M ;
PADRO, JA ;
GONZALEZ, LE ;
GIRO, A .
JOURNAL OF PHYSICS-CONDENSED MATTER, 1993, 5 (19) :3095-3102
[7]   On the mode-coupling theory for the velocity autocorrelation functions of simple liquids [J].
Canales, M ;
Padro, JA .
JOURNAL OF PHYSICS-CONDENSED MATTER, 1997, 9 (50) :11009-11021
[8]   Static and dynamic structure of liquid metals: Role of the different parts of the interaction potential [J].
Canales, M ;
Padro, JA .
PHYSICAL REVIEW E, 1997, 56 (02) :1759-1764
[9]   VANDERWAALS PICTURE OF LIQUIDS, SOLIDS, AND PHASE-TRANSFORMATIONS [J].
CHANDLER, D ;
WEEKS, JD ;
ANDERSEN, HC .
SCIENCE, 1983, 220 (4599) :787-794
[10]   THE DYNAMICAL STRUCTURE FACTOR FOR LIQUID ALUMINUM [J].
EBBSJO, I ;
KINELL, T ;
WALLER, I .
JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1980, 13 (10) :1865-1885