Materials Chemistry Research Dept. BL0111780 Research Paper

Frank H. Stillinger

Negative Thermal Expansion in the Gaussian Core Model

Frank H. Stillinger, Dorothea K. Stillinger

Bell Laboratories
Lucent Technologies Inc.
Murray Hill, NJ 07974

January 1998

Abstract:
The pressure equation of state of the classical many-body system with Gaussian pair interactions has been examined over a wide density range. Both analytical and simulational methods have been involved.
A simply-connected region of negative thermal expansion has emerged from the study. It includes portions of the BCC crystal and fluid sections of the equilibrium phase diagram.

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