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Abstract In this paper we present computer calculations of the ideal strength of crystals of sodium chloride and argon, for a variety of modes of homogeneous deformation. As models of the interatomic binding we employ the simple, two-body, central-force Born-Mayer and Lennard-Jones potentials respectively. The calculations for argon are appropriate to absolute zero, those for sodium chloride to room temperature. The results indicate a very marked anisotropy of the ideal tensile strength for sodium chloride, with a pronounced minimum at 100, which is consistent with the observed cleavage on this plane. The ideal tensile strength of argon is shown to be much less dependent on orientation, which accords with the lack of any obvious cleavage plane in this material. We also make some estimates of the ideal shear strength, and find this to be a minimum for 111 112 shear for both argon and sodium chloride.
Macmillan et al. (Tue,) studied this question.