Temperature control method for studying elastic modules of crystals in static approach of discrete-atomistic modeling

In this paper we offer a method for control the temperature of monocrystals in lattice statics approach. The method is based on the computational-statistical imitation of the sample atoms heat motion which is performed by generating “frozen” perturbated system configurations with given amplitude of random displacements of the atoms. Analysis of elastic moduli dependence on the specimen heating was fulfilled for FCC and BCC crystal lattices. Estimation of polymorphic transformations and phase transitions temperature was found.