Literature DB >> 16270183

Anharmonic compression of the glitter lattice.

Michael J Bucknum1, Eduardo A Castro.   

Abstract

A previous report has described the crystal structure of glitter, which is a dense 3-,4-connected net composed of ethylenic columns that run parallel to the c-axis of the unit cell. Such a structure invites speculation as to its relative stiffness along that axis. A semiempirical expression due to Cohen was used in a previous communication to estimate its zero-pressure bulk modulus. This estimate exceeds that of any known material at 440 GPa. Further, by treating the ethylenic units as harmonic springs, a correction was computed for the elastic deformation of the carbon-carbon double bonds along the c-axis. This correction is on the order of 300 GPa for deformations of the double bonds of approximately 0.1 angstroms. The present communication treats the ethylenic units along the c-axis of glitter as anharmonic springs obeying a Morse potential and a Morse's law force. Within the anharmonic approximation, at modest bond length deformations, x', the bulk modulus at pressure of the glitter lattice exceeds 1 TPa.

Entities:  

Mesh:

Substances:

Year:  2005        PMID: 16270183     DOI: 10.1007/s00894-005-0015-9

Source DB:  PubMed          Journal:  J Mol Model        ISSN: 0948-5023            Impact factor:   1.810


  2 in total

1.  Calculation of bulk moduli of diamond and zinc-blende solids.

Authors: 
Journal:  Phys Rev B Condens Matter       Date:  1985-12-15

2.  High-pressure synthesis, characterization, and equation of state of cubic C-BN solid solutions.

Authors: 
Journal:  Phys Rev B Condens Matter       Date:  1995-05-01
  2 in total

北京卡尤迪生物科技股份有限公司 © 2022-2023.