Abstract
Motivated by experimental hints for supersolidity in Helium-4, we perform Monte Carlo simulations of vacancies and interstitials in a classical two-and three-dimensional Lennard-Jones solid. We confirm a strong binding energy of vacancies which is of the order of the Lennard-Jones attraction. This is reminiscent of what has been found for vacancies in Quantum Monte Carlo simulations. In addition, we find a strong attraction and large binding energy of interstitials in two-dimensional simulations. This is mainly due to the formation of a pair of dislocations by clustering interstitials, which minimizes the elastic deformation energy. We interpret the results in light of the properties of Helium-4.
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Ma, P.N., Pollet, L., Troyer, M. et al. A Classical Picture of the Role of Vacancies and Interstitials in Helium-4. J Low Temp Phys 152, 156–163 (2008). https://doi.org/10.1007/s10909-008-9816-4
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DOI: https://doi.org/10.1007/s10909-008-9816-4