Title of article
Molecular-dynamics simulation of carbon in the clathrate structures
Author/Authors
Sekkal، نويسنده , , W and Abderahmane، نويسنده , , S.Ait and Terki، نويسنده , , R and Certier، نويسنده , , M and Aourag، نويسنده , , H، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 1999
Pages
7
From page
123
To page
129
Abstract
Molecular dynamics calculations are performed for solid C34 and C46 using a Lennard-Jones potential. The calculated ground state properties, such as equilibrium lattice constant, bulk modulus, and cohesive energy are in good agreement with some other works. However, this study also calculates the thermal and elastic properties of these clathrate structures and they are compared with diamond structure.
Keywords
Ground state properties , Lennard-Jones potential , Molecular dynamics calculations , Clathrate structures
Journal title
MATERIALS SCIENCE & ENGINEERING: B
Serial Year
1999
Journal title
MATERIALS SCIENCE & ENGINEERING: B
Record number
2134407
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