First-principles calculations of shear moduli for Monte Carlo-simulated Coulomb solids

Details First-principles calculations of shear moduli for Monte Carlo-simulated Coulomb solids First-principles calculations of shear moduli for Monte Carlo-simulated Coulomb solids

Oct 1990

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1990phrva..42.4867o&link_type=abstract

Physical Review A (ISSN 1050-2947), vol. 42, Oct. 15, 1990, p. 4867-4870. Research supported by NASA.

Physics

32

Body Centered Cubic Lattices, Modulus Of Elasticity, Monte Carlo Method, Shear Properties, Solid Phases, Boundary Conditions, Free Energy, Temperature Dependence

Scientific paper

The paper presents a first-principles study of the shear modulus tensor for perfect and imperfect Coulomb solids. Allowance is made for the effects of thermal fluctuations for temperatures up to the melting conditions. The present theory treats the cases of the long-range Coulomb interaction, where volume fluctuations should be avoided in the Ewald sums.

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