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Tight-Binding Molecular Dynamics Study of Liquid and Amorphous Carbon

Published online by Cambridge University Press:  01 January 1992

C. Z. Wang ,
K. M. Ho  and
C. T. Chan
C. Z. Wang
Affiliation:
Ames Laboratory and Department of Physics, Iowa State University, Ames, IA 50011
K. M. Ho
Affiliation:
Ames Laboratory and Department of Physics, Iowa State University, Ames, IA 50011
C. T. Chan
Affiliation:
Ames Laboratory and Department of Physics, Iowa State University, Ames, IA 50011
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Abstract

Tight-binding molecular-dynamics simulations are performed to study the structure of liquid and amorphous carbon. Comparisons of our results with ab initiomolecular dynamics (Car-Parrinello) results and experimental data show that the scheme has sufficient accuracy and efficiency for realistic simulation study of the structural properties of complex carbon systems.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 291: Symposium O – Materials Theory and Modeling , 1992 , 177
Copyright
Copyright © Materials Research Society 1993

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References

REFERENCES

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