NDLI: Structural characteristics of close packings of hard spheres. Critical densities

Content Provider	Springer Nature Link
Author	Anikeenko, A. V. Medvedev, N. N.
Copyright Year	2007
Abstract	For packings of similar hard spheres, there are several characteristic values of density. First, this is the maximal possible degree of space filling by spheres η = 0.74, realized for the crystalline packing of spheres. Another known value, η = 0.64, is the limiting (critical) value for disordered packings. We also indicate two more characteristic values of density: η = 0.60 and η = 0.66, in the vicinity of which qualitative changes in structure can occur. Computer models of the packings of hard spheres are investigated in the range of densities 0.52 < η < 0.72. Each packing consisted of 10,000 spheres in a cube with periodic boundary conditions. The structural characteristics were investigated using Delaunay simplices, defining the arrangement of the nearest four atoms. Simplices that are close to a regular tetrahedron or quartoctahedron (quarter of an octahedron) are considered. These forms are typical for the densest crystal structures. Variation of the fraction and ratio of these simplices is studied as a function of the packing density. According to the results, the threshold value, η = 0.60, corresponds to the density after which correlation of the disordered arrangement of spheres increases considerably. When η = 0.64, the structural organization changes more radically; high density demands the emergence of local crystal nuclei. The density η = 0.66 is the limiting density at which the crystalline nuclei can exist as independently distributed regions. Closer packings can only occur if a global crystal structure arises in them.
Starting Page	774
Ending Page	781
Page Count	8
File Format	PDF
ISSN	00224766
Journal	Journal of Structural Chemistry
Volume Number	48
Issue Number	4
e-ISSN	15738779
Language	English
Publisher	Springer US
Publisher Date	2007-01-01
Publisher Place	Boston
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	hard spheres structure of disordered systems limiting density structure of liquids structure of amorphous phases crystallization close packings of hard spheres Inorganic Chemistry Physical Chemistry Atoms, Molecules, Clusters and Plasmas Atomic and Molecular Structure and Spectra Solid State Physics and Spectroscopy
Content Type	Text
Resource Type	Article
Subject	Materials Chemistry Physical and Theoretical Chemistry Inorganic Chemistry

Sl.	Authority	Responsibilities	Communication Details
1	Ministry of Education (GoI), Department of Higher Education	Sanctioning Authority	https://www.education.gov.in/ict-initiatives
2	Indian Institute of Technology Kharagpur	Host Institute of the Project: The host institute of the project is responsible for providing infrastructure support and hosting the project	https://www.iitkgp.ac.in
3	National Digital Library of India Office, Indian Institute of Technology Kharagpur	The administrative and infrastructural headquarters of the project	Dr. B. Sutradhar bsutra@ndl.gov.in
4	Project PI / Joint PI	Principal Investigator and Joint Principal Investigators of the project	Dr. B. Sutradhar bsutra@ndl.gov.in Prof. Saswat Chakrabarti will be added soon
5	Website/Portal (Helpdesk)	Queries regarding NDLI and its services	support@ndl.gov.in
6	Contents and Copyright Issues	Queries related to content curation and copyright issues	content@ndl.gov.in
7	National Digital Library of India Club (NDLI Club)	Queries related to NDLI Club formation, support, user awareness program, seminar/symposium, collaboration, social media, promotion, and outreach	clubsupport@ndl.gov.in
8	Digital Preservation Centre (DPC)	Assistance with digitizing and archiving copyright-free printed books	dpc@ndl.gov.in
9	IDR Setup or Support	Queries related to establishment and support of Institutional Digital Repository (IDR) and IDR workshops	idr@ndl.gov.in

From amorphous solid to defective crystal. A study of structural peculiarities in close packings of hard spheres

Dielectric properties of a liquid of dipole hard spheres

Interatomic voids in analysis of computer model structures of liquids and glasses

Structure of hard sphere packings near Bernal density

Structure modification in crystallizations according to molecular dynamic simulations of NaCl clusters

Structure of Zn$_{3}$P$_{2}$

Statistical thermodynamics and dielectric properties of dipole-quadrupole hard-sphere fluid

Structural Changes in Loosening Amorphous Packings of Lennard-Jones Atoms

Band shape in vibrational spectra and interactions of polar molecules in liquids

Structural characteristics of close packings of hard spheres. Critical densities

Similar Documents

From amorphous solid to defective crystal. A study of structural peculiarities in close packings of hard spheres

Dielectric properties of a liquid of dipole hard spheres

Interatomic voids in analysis of computer model structures of liquids and glasses

Structure of hard sphere packings near Bernal density

Structure modification in crystallizations according to molecular dynamic simulations of NaCl clusters

Structure of Zn$_{3}$P$_{2}$

Statistical thermodynamics and dielectric properties of dipole-quadrupole hard-sphere fluid

Structural Changes in Loosening Amorphous Packings of Lennard-Jones Atoms

Band shape in vibrational spectra and interactions of polar molecules in liquids

Structural characteristics of close packings of hard spheres. Critical densities