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

Abstract
First-principles calculations of the shear modulus tensor are presented for the bcc crystalline and rapidly quenched Coulomb solids produced by the Monte Carlo simulation method. The shear moduli are calculated for temperatures up to the melting conditions, including the effects of thermal fluctuations. An effective shear modulus appropriate to an approximate ‘‘isotropic’’ body is introduced through averages over directions.