Interatomic potentials calculated from equations of state - Limitation of finite strain to moderate K-prime

Details Interatomic potentials calculated from equations of state - Limitation of finite strain to moderate K-prime Interatomic potentials calculated from equations of state - Limitation of finite strain to moderate K-prime

Apr 1993

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1993georl..20..635h&link_type=abstract

Geophysical Research Letters (ISSN 0094-8276), vol. 20, no. 7, p. 635-638.

Physics

10

Atomic Interactions, Bulk Modulus, Equations Of State, Interatomic Forces, Coulomb Potential, Crystals, Rigid Structures, Taylor Series

Scientific paper

Conditions under which equations of state (EOS) are valid are investigated by calculating implicit interatomic potentials for fixed structures. Third-order Eularian finite strain yields physically realistic potentials only for the range 3.8 - B. The upper limit B depends on the size of the long range attractive potential relative to that of the repulsive potential, and is -6 for neutral solids or incompressible materials (e.g., argon or MgO), or about 8 for ionic or soft solids (e.g., NaCl).

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