Transfer of Diagonals in a Rhombus: Elementary Act of Polymorphic Transformation. Analysis of the Energy Threshold of Transformation in Metalsстатья
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Дата последнего поиска статьи во внешних источниках: 8 сентября 2020 г.
Аннотация:We propose an atomistic description of polymorphic transformations in metal alloys, according to which an elementary act of transformation is reduced to the transfer of diagonals of a rhombus formed by two triangles. Metallic atoms are located in the corners of these triangles, and their common edge is transferred (i.e., turns into the long diagonal of rhombus). We estimated the energy barrier of polymorphic transformation (transfer of the diagonals) for various types of filling of the corners with iron, chromium, and manganese atoms in different combinations. The energy threshold is computed by using the Morse pair potential. The numerical parameters of the function approximating the potential are calibrated by the experimental values of the energy of sublimation and the temperature dependences of the elastic constants of iron, chromium, and mangan