COLLECTIVE DYNAMICAL PROPERTIES OF MOLTEN-SALTS - MOLECULAR-DYNAMICS CALCULATIONS ON SODIUM-CHLORIDE

被引：81

作者：

ADAMS, EM ^{[1
]}

MCDONALD, IR ^{[1
]}

SINGER, K ^{[1
]}

机构：

[1] UNIV LONDON,ROYAL HOLLOWAY COLL,DEPT CHEM,EGHAM TW20 OEX,SURREY,ENGLAND

来源：

PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL PHYSICAL AND ENGINEERING SCIENCES | 1977年 / 357卷 / 1688期

关键词：

D O I：

10.1098/rspa.1977.0154

中图分类号：

O [数理科学和化学]; P [天文学、地球科学]; Q [生物科学]; N [自然科学总论];

学科分类号：

07 ; 0710 ; 09 ;

摘要：

The paper presents the results of molecular dynamics calculations on a system simulating molten NaCl at a temperature of 1090 K. Attention has been focused on the study of the collective modes, as described by the autocorrelation functions of the longitudinal and transverse components of the currents of mass and charge. Explicit expressions are given for the coefficients in the small-time Taylor development of the autocorrelation functions and these, together with data on the static structure factors, are used in analyzing the current fluctuations and their spectra in terms of memory functions.

引用

页码：37 / 57

页数：21

共 33 条

[1]

Abramo M. C., 1973, Journal of Nonmetals, V2, P67

[2] DYNAMIC STRUCTURE FACTORS AND NEUTRON-SCATTERING IN MOLTEN-SALTS [J].

ABRAMO, MC ;

PARRINELLO, M ;

TOSI, MP .

JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1974, 7 (23) :4201-4212

[3] MONTE-CARLO AND HNC CALCULATIONS FOR MOLTEN POTASSIUM-CHLORIDE [J].

ADAMS, DJ .

JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1976, 72 :1372-1384

[4] RIGID-ION MODELS OF INTERIONIC POTENTIAL IN ALKALI-HALIDES [J].

ADAMS, DJ ;

MCDONALD, IR .

JOURNAL OF PHYSICS C-SOLID STATE PHYSICS, 1974, 7 (16) :2761-2775

[5] DYNAMICS OF LIQUID N2 AT T=66.4 K STUDIED BY NEUTRON INELASTIC-SCATTERING [J].

CARNEIRO, K ;

MCTAGUE, JP .

PHYSICAL REVIEW A, 1975, 11 (05) :1744-1754

[6] GENERALIZED HYDRODYNAMICS AND TIME CORRELATION FUNCTIONS [J].

CHUNG, CH ;

YIP, S .

PHYSICAL REVIEW, 1969, 182 (01) :323-&

[7] TRANSPORT PROPERTIES OF MOLTEN ALKALI-HALIDES [J].

CICCOTTI, G ;

JACUCCI, G ;

MCDONALD, IR .

PHYSICAL REVIEW A, 1976, 13 (01) :426-436

[8] DENSITY FLUCTUATIONS IN LIQUID RUBIDIUM .1. NEUTRON-SCATTERING MEASUREMENTS [J].

COPLEY, JRD ;

ROWE, JM .

PHYSICAL REVIEW A, 1974, 9 (04) :1656-1666

[9] DENSITY FLUCTUATIONS IN MOLTEN-SALTS .2. MOLECULAR-DYNAMICS STUDY OF LIQUID RBBR [J].

COPLEY, JRD ;

RAHMAN, A .

PHYSICAL REVIEW A, 1976, 13 (06) :2276-2286

[10] ANHARMONIC EFFECTS IN PHONON SPECTRA OF SODIUM-CHLORIDE [J].

COWLEY, ER ;

JACUCCI, G ;

KLEIN, ML ;

MCDONALD, IR .

PHYSICAL REVIEW B, 1976, 14 (04) :1758-1769

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