摘要:

A method has been developed for the study of vacancy dynamics in molecular dynamics simulations of either liquids or solids. This has been applied to the case of molten RbCl to show that vacancies may be considered to exist in the liquid state using either static or dynamic criteria, but that these do not represent a significant proportion of the free volume.

ISSN:0031-9104    

DOI:10.1080/00319108908028435

出版商:Taylor & Francis Group    

年代:1989

数据来源: Taylor

摘要:

Various generalized dual-hard-sphere (DHS) models are reviewed on calculating the liquid structure factor for semiconductor elements Si and Ge. It is found that the model generalized by Canessa, Mariani and Vignolo gives the best fitting of experimental structure factorSexp(k) in the rangek> 2kF, (kF, the Fermi wave vector), and all previous models including a new generalized model by the author fail to reproduce the experimental structure factorSexp(k) of Si and Ge in the whole range ofkvector.

ISSN:0031-9104    

DOI:10.1080/00319108908028436

出版商:Taylor & Francis Group    

年代:1989

数据来源: Taylor

摘要:

Experimental solubilities are reported for anthracene in binary solvent mixtures containing carbon tetrachloride withn-hexane,n-heptane,n-octane, cyclohexane, methylcyclohexane and isooctane at 25°C. Results of these measurements, combined with the excess Gibbs free energies of the binary solvents, are used to test predictive expressions derived from the nearly ideal binary solvent (NIBS) model. Expressions based on a volume fraction average of solute properties in the two pure solvents predict anthracene solubilities to within a maximum deviation of 4.5% and an overall average deviation of 1.8%.

ISSN:0031-9104    

DOI:10.1080/00319108908028437

出版商:Taylor & Francis Group    

年代:1989

数据来源: Taylor

摘要:

The structure factors for three samples of molten CsCl with different isotopic chlorine compositions have been measured accurately in the region 0.2 >Q> 3.0 Å−1using the D1B diffractometer at the Institut Laue Langevin. A rise in the measured structure factors forQ> 0.5 Å−1is explained as being due to inelastic scattering from overdamped acoustic modes.

ISSN:0031-9104    

DOI:10.1080/00319108908028438

出版商:Taylor & Francis Group    

年代:1989

数据来源: Taylor

摘要:

Sound velocity and relative interaction have been evaluated in binary mixtures ofn-dodecane + hexane isomers. The results are compared with the excess volume and excess isentropic compressibility studies of Bensonet al.It has been found that the present studies are useful in understanding the solute-solvent interactions in binary liquid mixtures.

ISSN:0031-9104    

DOI:10.1080/00319108908028439

出版商:Taylor & Francis Group    

年代:1989

数据来源: Taylor

摘要:

We present the results of analysis of the observed structure factorsS(k)of liquid 4f rare earth metals. We have assumed a repulsive Yukawa potential as a convenient choice of reference potential, and have carried out the calculations within the mean spherical approximation (MSA). Our analysis only gives qualified support to the view that there is a hardening of the cores as the 4f-band is filled across the lanthanides for La to Lu.

ISSN:0031-9104    

DOI:10.1080/00319108908028440

出版商:Taylor & Francis Group    

年代:1989

数据来源: Taylor

摘要:

We discuss the dependence of the stability of tetrahedral complexes in molten halide mixtures on the halogen species. This is done by calculating the equilibrium concentration of (CaBr4)2−complexes in calcium-alkali bromide solutions as a function of composition, in comparison with earlier calculations on the calcium-alkali chloride systems. The comparison supports a possible trend of increasing stability from chlorides to bromides, provided that halogen polarizability or chemical bonding contribute appreciably to the binding of a complex. Supporting evidence is noted and further experiments are suggested.

ISSN:0031-9104    

DOI:10.1080/00319108908028441

出版商:Taylor & Francis Group    

年代:1989

数据来源: Taylor

摘要:

The Bhatia-Young expression for the free energy of mixing of a binary fluid has been used to study the concentration fluctuation in liquid NaCs alloys. This system has a strong tendency to homocoordination at sodium concentration near 0.8. In spite of this fact, good overall agreement with the experimentalScc(0) data is provided by assuming an ordering potential which is independent of concentration.

ISSN:0031-9104    

DOI:10.1080/00319108908028442

出版商:Taylor & Francis Group    

年代:1989

数据来源: Taylor

摘要:

Equations of state for the four- and five-dimensional hard hypersphere fluids have been obtained. Several procedures have been considered in each case: a) adapting the method of Carnahan and Starling to such dimensionalities; b) introducing Padé and Levin approximants suitable to the virial expansion and c) establishing a pole at a given density. In most cases, the results obtained agree satisfactorily with the available simulation data. The use of an additional fitting parameter furnishes nearly perfect agreement.

ISSN:0031-9104    

DOI:10.1080/00319108908028443

出版商:Taylor & Francis Group    

年代:1989

数据来源: Taylor

摘要:

This is a scanned image of the original Editorial Board page(s) for this issue.

ISSN:0031-9104    

DOI:10.1080/00319108908028434

出版商:Taylor & Francis Group    

年代:1989

数据来源: Taylor