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Energy of Cohesion, Compressibility, and the Potential Energy Functions of the Graphite SystemThe lattice summations of the potential energy of importance in the graphite system have been computed by direct summation assuming a Lennard‐Jones 6–12 potential between carbon atoms. From these summations, potential energy curves were constructed for interactions between a carbon atom and a graphite monolayer, between a carbon atom and a graphite surface, between a graphite monolayer and a semi‐infinite graphite crystal and between two graphite semi‐infinite crystals. Using these curves, the equilibrium distance between two isolated physically interacting carbon atoms was found to be 2.70 a, where a is the carbon‐carbon distance in a graphite sheet. The distance between a surface plane and the rest of the crystal was found to be 1.7% greater than the interlayer spacing. Theoretical values of the energy of cohesion and the compressibility were calculated from the potential curve for the interaction between two semi‐infinite crystals. They were ΔEc = —330 ergs/cm2 and β = 3.18×10—12 cm2/dyne, respectively. These compared favorably with the experimental values of ΔEc = —260 ergs/cm2 and β = 2.97×10—2 cm2/dyne.
Document ID
20150019407
Acquisition Source
Glenn Research Center
Document Type
Reprint (Version printed in journal)
Authors
L A Girifalco (Lewis Flight Propulsion Laboratory Cleveland, Ohio, United States)
R A Lad (Lewis Flight Propulsion Laboratory Cleveland, Ohio, United States)
Date Acquired
October 14, 2015
Publication Date
October 1, 1956
Publication Information
Publication: The Journal of Chemical Physics
Publisher: American Institute of Physics
Volume: 25
Issue: 4
Issue Publication Date: October 1, 1956
ISSN: 0021-9606
e-ISSN: 1089-7690
DOI: 10.1063/1.1743030
Subject Category
Physics of Elementary Particles and Fields
Distribution Limits
Public
Copyright
Work of the US Gov. Public Use Permitted.

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