NDLI: Structures with vacancy sublattices based on fcc and bcc packings of spheres and their stability at negative pressures

Content Provider	Springer Nature Link
Author	Kosyakov, V. I. Shestakov, V. A.
Copyright Year	2009
Abstract	Structures with regular sublattices of vacancies, vacancy clusters, and channels constructed from the fcc and bcc packings of spheres were analyzed. Homologous series of structures were constructed, and formulas were derived to correlate the basic structural characteristics with the composition of the “vacancy compounds” A$_{m}$V$_{n}$. The thermodynamic stabilities of structures with vacancies were compared with the stability of a flaw-free structure in the range of negative pressures using the simple interatomic interaction potential. Structures with vacancy clusters and channels may be more stable than the ideal structure in a certain range of pressures. This paper summarizes the results of simulations of structures with vacancy sublattices based on close packings of spheres described in this work and previous publications and their thermodynamic stability at negative pressures.
Starting Page	1114
Ending Page	1120
Page Count	7
File Format	PDF
ISSN	00224766
Journal	Journal of Structural Chemistry
Volume Number	50
Issue Number	6
e-ISSN	15738779
Language	English
Publisher	Springer US
Publisher Date	2010-02-04
Publisher Place	Boston
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	vacancies vacancy clusters sphere packings thermodynamic stability negative pressure homologous series simulation structural characteristics Solid State Physics Atomic/Molecular Structure and Spectra Atomic, Molecular, Optical and Plasma Physics Physical Chemistry Inorganic Chemistry
Content Type	Text
Resource Type	Article
Subject	Materials Chemistry Physical and Theoretical Chemistry Inorganic Chemistry

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